Precise electronic transition and ionization energies

生化分子質譜與光譜學實驗室
Laboratory for Mass Spectrometric and Spectroscopic Studies of Biomolecules

Precise S₁0⁰and IE values determined by our research group using R2PI and MATI spectroscopy
本實驗小組利用雙色多光子游離(2C-REMPI)及質量解析臨界游離(MATI)光譜技術所測得精確的電子躍遷能量(+/- 2 cm^-1)和游離能(+/- 5 cm^-1)
Homepage: http://www.iams.sinica.edu.tw/lab/wbtzeng/indexa.html [English]
首頁: http://www.iams.sinica.edu.tw/lab/wbtzeng/indexb.html [中文]
Index: C5, C6, C7, C8, C9, C10, C11
C6(2-rings), C7(2-rings), C8(2-rings), C9(2-rings), C10(2-rings), C11(2-ring)
　

Molecule

S₁/ cm^-1

λ₁/ nm

IE / eV

IE / cm^-1

E₂/ cm^-1

λ₂/ nm

Reference ^a

C5

C5H6N2
2-C₅H₅NNH₂
(2-aminopyridine) 33,471 298.77 8.1095 65,411 31,940 313.09
CPL, 353, 55 (2002)

C5H6N2
3-C₅H₅NNH₂
(3-aminopyridine) 33,048 302.59 8.0869 65,229 32,181 310.74
CP, 280, 191 (2002)

C6

C6H4ClFO
cis-4-Cl-3-FC₆H₃OH,
(cis-4-chloro-3-fluorophenol) 35,233 283.82 8.5963 69,334 34,101 293.25 MP, 112, 2397-2406 (2014)

C6H4ClFO
trans-4-Cl-3-FC₆H₃OH,
(trans-4-chloro-3-fluorophenol) 35,405 283.45 8.6119 69,460 34,055 293.64 MP, 112, 2397-2406 (2014)

C6H4F2O
cis-2,4-F2C₆H₃OH,
(cis-2,4-difluorophenol)
35,647

280.53

8.6826

70,030

34,383

290.84
BKCS, 35, 815-820   (2014)

C6H4F2O
cis-3,4-F2C₆H₃OH,
(cis-3,4-difluorophenol)
35,486

281.80

8.6809

70,016

34,530

289.60
JPPA, 270, 53-59   (2013)

C6H4F2O
trans-3,4-F2C₆H₃OH,
(trans-3,4-difluorophenol)
35,704

280.08

8.7041

70,203

34,499

289.86
JPPA, 270, 53-59   (2013)

C6H5ClFN
3-Cl-4-F-C₆H₃NH₂
(3-chloro-4-fluoroaniline)
32,348

309.14

7.9191

63,872

31,524

317.22
JMSp, 288, 1-6 (2013)

C6H5ClFN
4-Cl-3-F-C₆H₃NH₂
(4-chloro-3-fluoroaniline) 33,242 300.82 7.9186 63,868 30,626 326.52 CPL, 595-596, 73-76 (2014)

C6H5F2N
2,4-F2C₆H₄NH₂
(2,4-difluoroaniline)
33,294

300.35

7.9269

63,935

30,641

326.36

SAA, 93, 176-179 (2012)

C6H5F2N
2,5-F2C₆H₄NH₂
(2,5-difluoroaniline)
34,451

290.27

8.0844

65,205

30,754

325.16

CPL, 580, 28-31 (2013)

C6H5F2N
3,4-F2C₆H₄NH₂
(3,4-difluoroaniline) 33,265 300.62 7.9592 64,195 30,930 323.31 JMSp, 266, 52 (2011)

C6H5FO
2-FC₆H₄OH
(o-fluorophenol)
36,804

271.71

8.6796

70,006

33,202

301.19

CP, 323, 429 (2006)

C6H5FO
4-FC₆H₄OH
(p-fluorophenol)
35,117

284.76

8.5025

68,577

33,460

298.86

CPL, 390, 65 (2004)

C6H5ClO
4-³⁵ClC₆H₄OH
(³⁵Cl p-chlorophenol)
34,813

287.25

8.4438

68,104

33,291

300.38

CPL, 422, 271 (2006)

C6H5ClO
4-³⁷ClC₆H₄OH
(³⁷Cl p-chlorophenol)
34,813

287.25

8.4438

68,104

33,291

300.38

CPL, 422, 271 (2006)

C6H6BrN
4-⁷⁹BrC₆H₄NH₂,
(⁷⁹Br p-bromoaniline)

32,590

306.84

7.7248

62,308

29,718

336.50

CPL, 356, 267 (2002)

4-⁸¹BrC₆H₄NH₂,
(⁸¹Br p-bromoaniline)

32,590

306.84

7.7248

62,308

29,718

336.50

CPL, 356, 267 (2002)

C6H6ClN
3-³⁵ClC₆H₄NH₂
(³⁵Cl m-chloroaniline)

33,658

297.11

7.9298

63,958

30,300

330.03

JMSp, 269, 248 (2011)

3-³⁷ClC₆H₄NH₂
(³⁷Cl m-chloroaniline)

33,658

297.11

7.9298

63,958

30,300

330.03

JMSp, 269, 248 (2011)

C6H6ClN
4-³⁵ClC₆H₄NH₂
(³⁵Cl p-chloroaniline)

32,573

307.00

7.7374

62,410

29,837

335.15

JCP, 113, 4109 (2000)

1,4-³⁷ClC₆H₄NH₂
(³⁷Cl p-chloroaniline)

32,573

307.00

7.7374

62,410

29,837

335.15

JCP, 113, 4109 (2000)

C6H6FN
2-FC₆H₄NH₂
(o-fluoroaniline)

34,583

289.16

7.8904

63,644

29,061

344.10

JCSFT, 93, 298 (1997),
PCCP, 2, 3759 (2000)

2-FC₆H₄NHD
(o-fluoroaniline-d1) 34,586 289.13 7.8880 63,621 29,035 344.41 JMSp, 269, 49 (2011)

2-FC₆H₄ND₂
(o-fluoroaniline-d2) 34,595 289.06 7.8863 63,607 29,012 344.68 JMSp, 269, 49 (2011)

C6H6FN
3-FC₆H₄NH₂
(m-fluoroaniline)

34,614

288.90

7.9542

64,159

29,545

338.47

JCSFT, 93, 2981 (1997),
AS, 55, 120 (2001)

3-FC₆H₄NHD
(m-fluoroaniline-d1) 34,615 289.89 7.9521 64,138 29,523 338.72 JMSp, 269, 49 (2011)

3-FC₆H₄ND₂
(m-fluoroaniline-d2) 34,622 289.83 7.9499 64,120 29,498 339.01 JMSp, 269, 49 (2011)

C6H6FN
4-FC₆H₄NH₂
(p-fluoroaniline)

32,652

306.26

7.7539

62,543

29,891

334.55

JCSFT, 93, 198 (1997),
AJS, 1, 45 (1997),
JPCA, 103, 8612 (1999),
JCP, 115, 743 (2001)

4-FC₆H₄NHD
(p-fluoroaniline-d1)

32,653

306.25

7.7511

62,520

29,867

334.82

AJS, 3, 115 (1999),
JCP, 115, 743 (2001)

4-FC₆H₄ND₂
(p-fluoroaniline-d2)

32,660

306.18

7.7494

62,507

29,847

335.04

AJS, 3, 115 (1999),
JCP, 115, 743 (2001)

C6H6O2
c-1,4-C₆H₄(OH)₂
(cis-hydroquinone)

33,535

298.20

7.9409

64,051

30,516

327.70

SAA, 53A, 2595 (1997)
JPCA, 105, 11455 (2001)

t-1,4-C₆H₄(OH)₂
(trans-hydroquinone)

33,500

298.51

7.9343

63,998

30,498

327.89

SA, 53A, 2595 (1997)
JPCA, 105, 11455 (2001)

C6H7N
C₆H₅NH₂ (aniline)

34,029

293.87

7.7202

62,271

28,242

354.08

AP, 52, 890 (1998),
JCP, 115, 743 (2001)

C₆H₅NHD (aniline-d1)

34,031

293.85

7.7180

62,253

28,222

354.33

AP, 52, 890 (1998),
JCP, 115, 743 (2001)

C₆H₅ND₂ (aniline-d2)

34,038

293.79

7.7155

62,233

28,195

354.67

AP, 52, 890 (1998),
JCP, 115, 743 (2001)

C₆D₅NH₂ (aniline-d5)

34,193

292.46

7.7186

62,258

28,065

356.32

AP, 52, 890 (1998),
JCP, 115, 743 (2001)

C₆D₅NHD (aniline-d6)

34,195

292.44

7.7160

62,237

28,042

356.61

AP, 52, 890 (1998),
JCP, 115, 743 (2001)

C₆D₅ND₂ (aniline-d7)

34,202

292.38

7.7131

62,214

28,012

356.99

AP, 52, 890 (1998),
JCP, 115, 743 (2001)

C6H7NO
cis-1,3-(NH₂)C₆H₄OH
(cis-m-aminophenol)
34,468

290.12

7.6540

61,734

27,266

366.76

CPL, 394, 182 (2004)

trans-1,3-(NH₂)C₆H₄OH
(trans-m-aminophenol)
34,110

293.17

7.6201

61,460

27,350

365.63

CPL, 394, 182 (2004)

C6H7NO
1,4-(NH₂)C₆H₄OH
(p-aminophenol)
31,393

318.54

7.2930

58,822

27,429

364.58

CP, 305, 285 (2004)

C6H8N2
1,3-C₆H₄(NH₂)₂
(m-diaminobenzene) 33,395 299.45 7.2309 58,321 24,926 401.19 JPPA. 251, 94-99 (2013)

C6H8N2
1,4-C₆H₄(NH₂)₂
(p-diaminobenzene) 29,805 335.51 6.7725 54,624 24,819 402.92 JPPA. 251, 94-99 (2013)

C6 (2 rings)

C6H5N3
C₆H₅N₃ (benzotriazole) 34,917 286.39 8.7377 70,474 35,557 281.24 CP, 334, 189 (2007)

C7

C7H5NO
1,4-CNC₆H₅NO
(p-cyanophenol)
33,548

298.08

9.0134

72,698

39,150

255.43

CPL, 411, 506 (2005)

C7H6F2O
cis-3,4-F₂C₆H₃OCH₃
(cis-3,4-difluoroanisole)
35,505

281.65

8.4037

67,780

32,275

309.84
SAA, 102, 365-370 (2013)

C7H6F2O
trans-3,4-F₂C₆H₃OCH₃
(trans-3,4-difluoroanisole)
35,711

280.03

8.4464

68,125

32,414

308.50
SAA, 102, 365-370 (2013)

C7H6N2
1,4-CNC₆H₄NH₂ (p-aminobenzonitrile)

33,481

298.68

8.2436

66,493

33,012

302.92

CP, 261, 449 (2000)

C7H7ClO
2-ClC₆H₄OCH₃
(o-chloroanisole)
35,745

279.76

8.3047

66,982

31,237

320.13
JPPA. 243, 73-79 (2012)

C7H7ClO
cis-3-ClC₆H₄OCH₃
(cis-m-chloroanisole)
35,822

279.16

8.3869

67,645

31,823

314.24
CP. 425, 114-120 (2013)

C7H7ClO
trans-3-ClC₆H₄OCH₃
(trans-m-chloroanisole)
35,868

278.80

8.4319

68,008

32,140

311.14
CP. 425, 114-120 (2013)

C7H7FO
2-FC₆H₄OCH₃
(o-fluoroanisole)
36,611

273.14

8.3508

67,354

30,743

325.28

CPL, 524, 38-41 (2012)

C7H7FO
cis-3-FC₆H₄OCH₃
(cis-m-fluoroanisole)
36,662

272.76

8.4144

67,867

31,205

320.46

JMSpec. 274, 43-47 (2012)

trans-3-FC₆H₄OCH₃
(trans-m-fluoroanisole)
36,819

271.60

8.4686

68,304

31,485

317.61

JMSpec. 274, 43-47 (2012)

C7H7FO
4-FC₆H₄OCH₃
(p-fluoroanisole)
35,146

284.53

8.2371

66,437

31,291

319.58

CPL, 524, 38-41 (2012)

C7H8O
C₆H₅OCH₃ (anisole) 36,383 274.85 8.2324 66,399 30,016 333.16
CPL, 407, 100 (2005)

C7H8O
cis-3-CH₃C₆H₄OH
(cis-m-methylphenol, cis-m-cresol) 35,982 277.92 8.2986 66,933 30,951 323.09 SAA, 67, 989 (2007)

C7H8O
trans-3-CH₃C₆H₄OH
(trans-m-methylphenol, trans-m-cresol) 36,098 277.02 8.3174 67,084 30,986 322.73 SAA, 67, 989 (2007)

C7H8O
4-CH₃C₆H₄OH
(p-methylphenol)
35,331

283.04

8.1728

65,918

30,587

326.94

JCP, 120, 10513 (2004)

C7H8O2
2-OCH₃C₆H₄OH
(o-methoxyphenol)
35,912

278.46

7.9344

63,995

28,083

356.09

CP, 323, 429 (2006)

C7H8O2
4-OCH₃C₆H₄OH
(cis-p-methoxyphenol)
35,667

297.03

7.7258

62,313

28,646

349.09

CPL, 410, 99 (2005)

4-OCH₃C₆H₄OD
(cis-p-methoxyphenol-d1-OD)
33,660 297.09 7.7245 62,302 28,642 349.14
JPCA, 109, 9481 (2005)

4-OCH₂DC₆H₄OH
(cis-p-methoxyphenol-d1-OCH₂D)
33,669 297.01 7.7271 62,323 28,654 348.99
JPCA, 109, 9481 (2005)

4-OCH₃C₆H₄OH
(trans-p-methoxyphenol) 33,572 297.87 7.7131 62,210 28,638 349.19
CPL, 410, 99 (2005)

4-OCH₃C₆H₄OD
(trans-p-methoxyphenol-d1-OD)
33,563 297.95 7.7107 62,191 28,628 349.31
JPCA, 109, 9481 (2005)

4-OCH₂DC₆H₄OH
(trans-p-methoxyphenol-d1-OCH₂D)
33,575 297.84 7.7138 62,216 28,641 349.15
JPCA, 109, 9481 (2005)

C7H9N
2-CH₃C₆H₄NH₂,
(o-methylaniline)

34,318

291.39

7.5629

61,002

26,684

374.76

SAA, 53A, 2595 (1997),
JPCA, 106, 6462 (2002)

C7H9N
3-CH₃C₆H₄NH₂,
(m-methylaniline)

33,821

295.67

7.5697

61,059

27,236

367.16

JPCA, 106, 6462 (2002)

C7H9N
1,4-CH₃C₆H₄NH₂,
(p-methylaniline)

33,084

302.26

7.4582

60,160

27,076

369.36

JMSt, 446, 93 (1998),
JPCA, 106, 6462 (2002)

C7H9N
C₆H₅NH(CH₃),
(N-methylaniline)
33,292

300.37

7.4166

59,822

26,530

376.93

JCP, 118, 4929 (2003)

C₆H₅ND(CH₃),
(N-methylaniline-d1) 33,294 300.35 7.4144 59,801 26,507 377.26
CP, 295, 97 (2003)

C7H9NO
2-OCH₃C₆H₄NH₂
(o-methoxylaniline)

33,875

295.20

7.2751

58,678

24,803

403.17

JMSp, 244, 1 (2007)

C7H9NO
cis-3-OCH₃C₆H₄NH₂
(cis-m-methoxylaniline)

34,308

291.48

7.4369

59,983

25,675

389.48

JMSp, 244, 1 (2007)

C7H9NO
trans-3-OCH₃C₆H₄NH₂
(trans-m-methoxylaniline)

34,495

289.90

7.5480

60,879

26,384

379.02

JMSp, 244, 1 (2007)

C7H9NO
4-OCH₃C₆H₄NH₂
(p-methoxylaniline)

31,581

318.65

7.1219

57,445

25,864

386.64

CPL, 370, 44 (2003)

C7 (2 rings) 　　　　　　
　

C7H6N2
C₇H₆N₂ (2-azaindole, indazole) 34,473 290.08 8.3743 67,543 33,070 302.39 CPL, 411, 86 (2005)

C7H5DN2
C₇H₅DN₂ (1D-2-azaindole, 1D-indazole) 34,478 290.04 8.3728 67,531 33,053 302.54 CPL, 501, 6 (2010)

C7H6N2
C₇H₆N₂ (3-azaindole, benzimidazole) 36,022 277.61 8.3754 67,552 31,530 317.16 CP, 334, 189 (2007)

C7H5DN2
C₇H₅DN₂ (1D2H-3-azaindole, 1D2H-benzimidazole) 36,028 277.56 8.3730 67,533 31,505 317.41 CPL, 501, 6 (2010)

C7H5DN2
C₇H₅DN₂ (1H2D-3-azaindole, 1H2D-benzimidazole) 36,046 277.42 8.3745 67,545 31,499 317.47 CPL, 501, 6 (2010)

C7H4D2N2
C₇H₄D₂N₂
(1D2D-3-azaindole, 1D2D-benzimidazole) 36,052 277.38 8.3728 67,531 31,479 317.67 CPL, 501, 6 (2010)

C7H6N2
C₇H₆N₂ (7-azaindole) 34,631 288.76 8.1163 65,462 30,831 324.35
CPL, 380, 503 (2003)

C8

C8H5F
2-FC₆H₄C≡CH
(o-fluorophenylacetylene)

35,586

281.01

8.9239

71,976

36,390

274.80

JPCA, 118, 8277-8286 (2014)

C8H5F
3-FC₆H₄C≡CH
(m-fluorophenylacetylene)

35,573

281.11

9.0010

72,598

37,025

270.09

JPCA, 118, 8277-8286 (2014)

C8H5F
4-FC₆H₄C≡CH
(p-fluorophenylacetylene) 35,596
280.93

8.8028

70,999

35,403

282.46
JPCA, 118, 8277-8286 (2014)

C8H6
C₆H₅C≡CH
(phenylacetylene)

35,879

278.71

8.8246

71,175

35,296

283.32

SAA, 52A, 1703 (1996)

C8H8
C₆H₅CH=CH₂
(styrene)

34,765

287.65

8.4644

68,270

33,505

398.46

AP, 53, 731 (1999)

C8H7F
3-FC₆H₄CH=CH₂
(cis-m-fluorostyrene) 34,409 290.62 8.6739 69,960 35,551 281.29 JMSp, 316, 72-78 (2015)

C8H7F
3-FC₆H₄CH=CH₂
(trans-m-fluorostyrene) 34,682 288.33 8.6610 69,856 35,174 284.30 JMSp, 316, 72-78 (2015)

C8H7N
4-(C≡CH)C₆H₄NH₂
(p-ethynylaniline)
32,656

306.22

7.5965

61,270

28,614

349.48
CPL, 543, 19 (2012)

C8H9N
4-(CH=CH₂)C₆H₄NH₂
(p-ethenylaniline, or p-vinylaniline) 31,490 317.56 7.3402 59,203 27,713 360.84 CP, 407, 71-75 (2012)

C8H9NO2
1,4-(NH₂)C₆H₄(COOCH₃)
(methyl-p-aminobenzoate)
34,133

292.97

7.8791

63,549

29,416

339.95
CPL, 421, 77 (2006)

C8H10O
4-C₂H₅C₆H₄OH
(p-ethylphenol)
35,504

281.66

8.1368

65,628

30,124

331.96

JCP, 120, 10513 (2004)

C8H10O
cis-3-CH₃C₆H₄(OCH₃)
cis-m-methylanisole 36,049 277.40 8.0415 64,859 28,810 347.10 APCS, 30, 1416-1425 (2014)

C8H10O
trans-3-CH₃C₆H₄(OCH₃)
trans-m-methylanisole 36,117 276.88 8.0726 65,110 28,993 344.91 APCS, 30, 1416-1425 (2014)

C8H10O
4-CH₃C₆H₄(OCH₃)
p-methylanisole
35,410

282.41

7.9315

63,972

28,562

350.12
CPL, 414, 276 (2005)

C8H10O2
1,2-C₆H₄(OCH₃)₂
o-dimethoxybenzene
35,750

279.72

7.6395

61,617

25,867

386.59

JPCA, 114, 11144 (2010)

C8H10O2
1,3-C₆H₄(OCH₃)₂
m-dimethoxybenzene, a (IO) 36,117 276.88 7.8758
63,523

27,406
364.88 JPCA, 114, 11144 (2010)

C8H10O2
1,3-C₆H₄(OCH₃)₂
m-dimethoxybenzene, b (OO) 36,185 276.36 7.9959
64,491

28,306
353.28 JPCA, 114, 11144 (2010)

C8H10O2
1,3-C₆H₄(OCH₃)₂
m-dimethoxybenzene, c (II) 36,268 275.73 7.9050
63,758

27,490
363.77 JPCA, 114, 11144 (2010)

C8H10O2
cis-1,4-C₆H₄(OCH₃)₂
cis-p-dimethoxybenzene

33,852

295.40

7.5343

60,772

26,920

371.47

JMSt, 448, 91 (1998)
JPCA, 105, 11455 (2001)

C8H10O2
trans-1,4-C₆H₄(OCH₃)₂
trans-p-dimethoxybenzene

33,631

297.34

7.5084

60,563

26,932

371.31

JMSt, 448, 91 (1998)
JPCA, 105, 11455 (2001)

C8H10O2
c-1,4-C₆H₄(OH)(OC₂H₅)
cis-p-ethoxyphenol
33,647

297.20

7.6461

61,670

28,023

356.85
CJCP, 22, 649 (2009)

C8H10O2
trans-1,4-C₆H₄(OH)(OC₂H₅)
trans-p-ethoxyphenol
33,550

298.06

7.6331

61,565

28,015

356.95
CJCP, 22, 649 (2009)

C8H11N
2,6-(CH₃)₂C₆H₃NH₂
2,6-dimethylaniline

34,736

287.89

7.4160

59,814

25,078

398.76

JCSFT, 94, 2913 (1998)
CPL, 551, 50-53 (2012)

2,6-(CH₃)₂C₆H₃NHD
2,6-dimethylaniline-d1

34,740

287.85

7.4143

59,800

25,060

399.04

JCSFT, 94, 2913 (1998)
CPL, 551, 50-53 (2012)

2,6-(CH₃)₂C₆H₃ND₂
2,6-dimethylaniline-d2

34,748

287.79

7.4122

59,783

25,035

399.44

JCSFT, 94, 2913 (1998)
CPL, 551, 50-53 (2012)

C8H11N
4-(C₂H₅)C₆H₄NH₂
(p-ethylaniline)

33,262

300.64

7.4335

59,959

26,697

374.57

JMSt, 482, 315 (1999)
CPL, 362, 19 (2002)

4-(C₂H₅)C₆H₄NHD
(p-ethylaniline-d1)

33,264

300.63

JMSt, 482, 315 (1999)

4-(C₂H₅)C₆H₄ND₂
(p-ethylaniline-d2)

33,272

300.55

JMSt, 482, 315 (1999)

C8H11N
C₆H₅NH(C₂H₅),
(N-ethylaniline)
33,297

300.33

7.3399

59,204

25,907

386.00

JCP, 118, 4929 (2003)

C₆H₅ND(C₂H₅), (N-ethylaniline-d1)
33,301 300.29 7.3380 59,185 25,884 386.34
CP, 295, 97 (2003)

C8H11N
C₆H₅N(CH₃)₂, (N,N-dimethylaniline)
32,888

304.06

7.1929

58,018

25,130

397.93

JCP, 118, 4929 (2003)

C8 (2 rings)

C8H9N
C₈H₉N, indoline
32,216

310.40

7.2244

58,269

26,053

383.83

JCP, 118, 10034 (2003)

C₈H₈ND, indoline-d1
32,254

310.04

7.2263

58,284

26,030

384.17

CPL, 371, 662 (2003)

C9

C9H10O
m-C₆H₄(OCH₃)(CH=CH₂), Rotamer I
(m-methoxystyrene-I) 32,767 305.19 8.1075 65,391 32,624 306.52 JCP, 142, 124314 (2015)

C9H10O
m-C₆H₄(OCH₃)(CH=CH₂), Rotamer II
(m-methoxystyrene-II) 32,907 303.89 8.0561 64,977 32,070 311.82 JCP, 142, 124314 (2015)

C9H10O
m-C₆H₄(OCH₃)(CH=CH₂), Rotamer III
(m-methoxystyrene-III) 33,222 301.01 8.0731 65,114 31,892 313.56 JCP, 142, 124314 (2015)

C9H10O
m-C₆H₄(OCH₃)(CH=CH₂), Rotamer IV
(m-methoxystyrene-IV) 33,281 300.47 8.0001 64,525 31,244 320.06 JCP, 142, 124314 (2015)

C9H10O
cis-C₆H₄(OCH₃)(CH=CH₂)
(cis-p-methoxystyrene)
33,250

300.75

7.7474

62,487

29,237

342.03

CPL, 503, 25 (2011)

C9H10O
trans-C₆H₄(OCH₃)(CH=CH₂)
(trans-p-methoxystyrene)
33,325

300.07

7.7505

62,512

29,187

342.62

CPL, 503, 25 (2011)

C9H12O
trans-4-(n-C₃H₇)C₆H₄OH
(trans-p-n-propylphenol)
35,501

281.68

8.0941

65,283

29,737

336.28

JCP, 122, 044311 (2005)

C9H12O
ga-4-(n-C₃H₇)C₆H₄OH
(gaucheA-p-n-propylphenol)
35,453

282.06

8.1067

65,385

29,932

334.09

JCP, 122, 044311 (2005)

C9H12O
gb-1,4-(n-C₃H₇)C₆H₄OH
(gaucheB-p-n-propylphenol)
35,441

282.16

8.1047

65,369

29,928

334.14

JCP, 122, 044311 (2005)

C9 (2 rings)

C₉H₈
C₉H₈, indene 34,725 287.98 8.1484 65,721 30,996 322.62 JPPA, 220, 139 (2011)

C₉H₉N
C₉H₉N, 1-methylindole
34,540

289.52

7.5319

60,749

26,209

381.54

CPL, 377, 620 (2003)

C₉H₉N
C₉H₉N, 3-methylindole
34,873

286.75

7.5232

60,679

25,806

387.51

JCP, 120, 5057 (2004)

C₉H₉N
C₉H₉N, 5-methylindole
34,355

291.08

7.6493

61,696

27,341

365.75

JCP, 120, 5057 (2004)

C10

C10 (2 rings)

C₁₀H₇F
1-C₁₀H₇F
1-fluoronaphthalene 31,868 313.79 8.2070 66,194 34,326 291.32 JMSp, 281, 40-46 (2012)

C₁₀H₇F
2-C₁₀H₇F
2-fluoronaphthalene 31,803 314.44 8.2786 66,771 34,968 285.98 JMSp, 281, 40-46 (2012)

C11

C11 (2 rings)

C₁₁H₇N
1-C₁₀H₇CN
1-cyanonaphthalene 31,412 318.35 8.6127 69,466 38,054 262.78 CPL, 558, 20-24 (2013)

C₁₁H₁₀O
trans-1-C₁₀H₇(OCH₃)
trans-1-methoxynaphthalene 31,672 315.74 7.6073 61,357 29,685 336.87 JMSp, 284-285, 16-20 (2013)

AJS = Asian J. Spectrosc.
APCS = Acta Phys. Chim. Sin.
AS = Appl. Spectrosc.
BKCS = Bull. Korean Chem. Soc.
CJCP = Chin. J. Chem. Phem.
CP = Chem. Phys.
CPL = Chem. Phys. Lett.
JCP = J. Chem. Phys.
JCSFT = J. Chem. Soc., Faraday Trans.
JMSp = J. Mol. Spectrosc.
JMSt = J. Mol. Struct.
JPCA = J. Phys. Chem. A
JPPA = J. Photochem. Photobio. A
MP = Mol. Phys.
PCCP = Phys. Chem. Chem. Phys.
SAA = Spectrochim Acta A

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Molecule	S₁/ cm^-1	λ₁/ nm	IE / eV	IE / cm^-1	E₂/ cm^-1	λ₂/ nm	Reference ^a
C5
C5H6N2 2-C₅H₅NNH₂ (2-aminopyridine)	33,471	298.77	8.1095	65,411	31,940	313.09	CPL, 353, 55 (2002)
C5H6N2 3-C₅H₅NNH₂ (3-aminopyridine)	33,048	302.59	8.0869	65,229	32,181	310.74	CP, 280, 191 (2002)
C6
C6H4ClFO cis-4-Cl-3-FC₆H₃OH, (cis-4-chloro-3-fluorophenol)	35,233	283.82	8.5963	69,334	34,101	293.25	MP, 112, 2397-2406 (2014)
C6H4ClFO trans-4-Cl-3-FC₆H₃OH, (trans-4-chloro-3-fluorophenol)	35,405	283.45	8.6119	69,460	34,055	293.64	MP, 112, 2397-2406 (2014)
C6H4F2O cis-2,4-F2C₆H₃OH, (cis-2,4-difluorophenol)	35,647	280.53	8.6826	70,030	34,383	290.84	BKCS, 35, 815-820 (2014)
C6H4F2O cis-3,4-F2C₆H₃OH, (cis-3,4-difluorophenol)	35,486	281.80	8.6809	70,016	34,530	289.60	JPPA, 270, 53-59 (2013)
C6H4F2O trans-3,4-F2C₆H₃OH, (trans-3,4-difluorophenol)	35,704	280.08	8.7041	70,203	34,499	289.86	JPPA, 270, 53-59 (2013)
C6H5ClFN 3-Cl-4-F-C₆H₃NH₂ (3-chloro-4-fluoroaniline)	32,348	309.14	7.9191	63,872	31,524	317.22	JMSp, 288, 1-6 (2013)
C6H5ClFN 4-Cl-3-F-C₆H₃NH₂ (4-chloro-3-fluoroaniline)	33,242	300.82	7.9186	63,868	30,626	326.52	CPL, 595-596, 73-76 (2014)
C6H5F2N 2,4-F2C₆H₄NH₂ (2,4-difluoroaniline)	33,294	300.35	7.9269	63,935	30,641	326.36	SAA, 93, 176-179 (2012)
C6H5F2N 2,5-F2C₆H₄NH₂ (2,5-difluoroaniline)	34,451	290.27	8.0844	65,205	30,754	325.16	CPL, 580, 28-31 (2013)
C6H5F2N 3,4-F2C₆H₄NH₂ (3,4-difluoroaniline)	33,265	300.62	7.9592	64,195	30,930	323.31	JMSp, 266, 52 (2011)
C6H5FO 2-FC₆H₄OH (o-fluorophenol)	36,804	271.71	8.6796	70,006	33,202	301.19	CP, 323, 429 (2006)
C6H5FO 4-FC₆H₄OH (p-fluorophenol)	35,117	284.76	8.5025	68,577	33,460	298.86	CPL, 390, 65 (2004)
C6H5ClO 4-³⁵ClC₆H₄OH (³⁵Cl p-chlorophenol)	34,813	287.25	8.4438	68,104	33,291	300.38	CPL, 422, 271 (2006)
C6H5ClO 4-³⁷ClC₆H₄OH (³⁷Cl p-chlorophenol)	34,813	287.25	8.4438	68,104	33,291	300.38	CPL, 422, 271 (2006)
C6H6BrN 4-⁷⁹BrC₆H₄NH₂, (⁷⁹Br p-bromoaniline)	32,590	306.84	7.7248	62,308	29,718	336.50	CPL, 356, 267 (2002)
4-⁸¹BrC₆H₄NH₂, (⁸¹Br p-bromoaniline)	32,590	306.84	7.7248	62,308	29,718	336.50	CPL, 356, 267 (2002)
C6H6ClN 3-³⁵ClC₆H₄NH₂ (³⁵Cl m-chloroaniline)	33,658	297.11	7.9298	63,958	30,300	330.03	JMSp, 269, 248 (2011)
3-³⁷ClC₆H₄NH₂ (³⁷Cl m-chloroaniline)	33,658	297.11	7.9298	63,958	30,300	330.03	JMSp, 269, 248 (2011)
C6H6ClN 4-³⁵ClC₆H₄NH₂ (³⁵Cl p-chloroaniline)	32,573	307.00	7.7374	62,410	29,837	335.15	JCP, 113, 4109 (2000)
1,4-³⁷ClC₆H₄NH₂ (³⁷Cl p-chloroaniline)	32,573	307.00	7.7374	62,410	29,837	335.15	JCP, 113, 4109 (2000)
C6H6FN 2-FC₆H₄NH₂ (o-fluoroaniline)	34,583	289.16	7.8904	63,644	29,061	344.10	JCSFT, 93, 298 (1997), PCCP, 2, 3759 (2000)
2-FC₆H₄NHD (o-fluoroaniline-d1)	34,586	289.13	7.8880	63,621	29,035	344.41	JMSp, 269, 49 (2011)
2-FC₆H₄ND₂ (o-fluoroaniline-d2)	34,595	289.06	7.8863	63,607	29,012	344.68	JMSp, 269, 49 (2011)
C6H6FN 3-FC₆H₄NH₂ (m-fluoroaniline)	34,614	288.90	7.9542	64,159	29,545	338.47	JCSFT, 93, 2981 (1997), AS, 55, 120 (2001)
3-FC₆H₄NHD (m-fluoroaniline-d1)	34,615	289.89	7.9521	64,138	29,523	338.72	JMSp, 269, 49 (2011)
3-FC₆H₄ND₂ (m-fluoroaniline-d2)	34,622	289.83	7.9499	64,120	29,498	339.01	JMSp, 269, 49 (2011)
C6H6FN 4-FC₆H₄NH₂ (p-fluoroaniline)	32,652	306.26	7.7539	62,543	29,891	334.55	JCSFT, 93, 198 (1997), AJS, 1, 45 (1997), JPCA, 103, 8612 (1999), JCP, 115, 743 (2001)
4-FC₆H₄NHD (p-fluoroaniline-d1)	32,653	306.25	7.7511	62,520	29,867	334.82	AJS, 3, 115 (1999), JCP, 115, 743 (2001)
4-FC₆H₄ND₂ (p-fluoroaniline-d2)	32,660	306.18	7.7494	62,507	29,847	335.04	AJS, 3, 115 (1999), JCP, 115, 743 (2001)
C6H6O2 c-1,4-C₆H₄(OH)₂ (cis-hydroquinone)	33,535	298.20	7.9409	64,051	30,516	327.70	SAA, 53A, 2595 (1997) JPCA, 105, 11455 (2001)
t-1,4-C₆H₄(OH)₂ (trans-hydroquinone)	33,500	298.51	7.9343	63,998	30,498	327.89	SA, 53A, 2595 (1997) JPCA, 105, 11455 (2001)
C6H7N C₆H₅NH₂ (aniline)	34,029	293.87	7.7202	62,271	28,242	354.08	AP, 52, 890 (1998), JCP, 115, 743 (2001)
C₆H₅NHD (aniline-d1)	34,031	293.85	7.7180	62,253	28,222	354.33	AP, 52, 890 (1998), JCP, 115, 743 (2001)
C₆H₅ND₂ (aniline-d2)	34,038	293.79	7.7155	62,233	28,195	354.67	AP, 52, 890 (1998), JCP, 115, 743 (2001)
C₆D₅NH₂ (aniline-d5)	34,193	292.46	7.7186	62,258	28,065	356.32	AP, 52, 890 (1998), JCP, 115, 743 (2001)
C₆D₅NHD (aniline-d6)	34,195	292.44	7.7160	62,237	28,042	356.61	AP, 52, 890 (1998), JCP, 115, 743 (2001)
C₆D₅ND₂ (aniline-d7)	34,202	292.38	7.7131	62,214	28,012	356.99	AP, 52, 890 (1998), JCP, 115, 743 (2001)
C6H7NO cis-1,3-(NH₂)C₆H₄OH (cis-m-aminophenol)	34,468	290.12	7.6540	61,734	27,266	366.76	CPL, 394, 182 (2004)
trans-1,3-(NH₂)C₆H₄OH (trans-m-aminophenol)	34,110	293.17	7.6201	61,460	27,350	365.63	CPL, 394, 182 (2004)
C6H7NO 1,4-(NH₂)C₆H₄OH (p-aminophenol)	31,393	318.54	7.2930	58,822	27,429	364.58	CP, 305, 285 (2004)
C6H8N2 1,3-C₆H₄(NH₂)₂ (m-diaminobenzene)	33,395	299.45	7.2309	58,321	24,926	401.19	JPPA. 251, 94-99 (2013)
C6H8N2 1,4-C₆H₄(NH₂)₂ (p-diaminobenzene)	29,805	335.51	6.7725	54,624	24,819	402.92	JPPA. 251, 94-99 (2013)
C6 (2 rings)
C6H5N3 C₆H₅N₃ (benzotriazole)	34,917	286.39	8.7377	70,474	35,557	281.24	CP, 334, 189 (2007)
C7
C7H5NO 1,4-CNC₆H₅NO (p-cyanophenol)	33,548	298.08	9.0134	72,698	39,150	255.43	CPL, 411, 506 (2005)
C7H6F2O cis-3,4-F₂C₆H₃OCH₃ (cis-3,4-difluoroanisole)	35,505	281.65	8.4037	67,780	32,275	309.84	SAA, 102, 365-370 (2013)
C7H6F2O trans-3,4-F₂C₆H₃OCH₃ (trans-3,4-difluoroanisole)	35,711	280.03	8.4464	68,125	32,414	308.50	SAA, 102, 365-370 (2013)
C7H6N2 1,4-CNC₆H₄NH₂ (p-aminobenzonitrile)	33,481	298.68	8.2436	66,493	33,012	302.92	CP, 261, 449 (2000)
C7H7ClO 2-ClC₆H₄OCH₃ (o-chloroanisole)	35,745	279.76	8.3047	66,982	31,237	320.13	JPPA. 243, 73-79 (2012)
C7H7ClO cis-3-ClC₆H₄OCH₃ (cis-m-chloroanisole)	35,822	279.16	8.3869	67,645	31,823	314.24	CP. 425, 114-120 (2013)
C7H7ClO trans-3-ClC₆H₄OCH₃ (trans-m-chloroanisole)	35,868	278.80	8.4319	68,008	32,140	311.14	CP. 425, 114-120 (2013)
C7H7FO 2-FC₆H₄OCH₃ (o-fluoroanisole)	36,611	273.14	8.3508	67,354	30,743	325.28	CPL, 524, 38-41 (2012)
C7H7FO cis-3-FC₆H₄OCH₃ (cis-m-fluoroanisole)	36,662	272.76	8.4144	67,867	31,205	320.46	JMSpec. 274, 43-47 (2012)
trans-3-FC₆H₄OCH₃ (trans-m-fluoroanisole)	36,819	271.60	8.4686	68,304	31,485	317.61	JMSpec. 274, 43-47 (2012)
C7H7FO 4-FC₆H₄OCH₃ (p-fluoroanisole)	35,146	284.53	8.2371	66,437	31,291	319.58	CPL, 524, 38-41 (2012)


C7H8O C₆H₅OCH₃ (anisole)	36,383	274.85	8.2324	66,399	30,016	333.16	CPL, 407, 100 (2005)
C7H8O cis-3-CH₃C₆H₄OH (cis-m-methylphenol, cis-m-cresol)	35,982	277.92	8.2986	66,933	30,951	323.09	SAA, 67, 989 (2007)
C7H8O trans-3-CH₃C₆H₄OH (trans-m-methylphenol, trans-m-cresol)	36,098	277.02	8.3174	67,084	30,986	322.73	SAA, 67, 989 (2007)
C7H8O 4-CH₃C₆H₄OH (p-methylphenol)	35,331	283.04	8.1728	65,918	30,587	326.94	JCP, 120, 10513 (2004)
C7H8O2 2-OCH₃C₆H₄OH (o-methoxyphenol)	35,912	278.46	7.9344	63,995	28,083	356.09	CP, 323, 429 (2006)
C7H8O2 4-OCH₃C₆H₄OH (cis-p-methoxyphenol)	35,667	297.03	7.7258	62,313	28,646	349.09	CPL, 410, 99 (2005)
4-OCH₃C₆H₄OD (cis-p-methoxyphenol-d1-OD)	33,660	297.09	7.7245	62,302	28,642	349.14	JPCA, 109, 9481 (2005)
4-OCH₂DC₆H₄OH (cis-p-methoxyphenol-d1-OCH₂D)	33,669	297.01	7.7271	62,323	28,654	348.99	JPCA, 109, 9481 (2005)
4-OCH₃C₆H₄OH (trans-p-methoxyphenol)	33,572	297.87	7.7131	62,210	28,638	349.19	CPL, 410, 99 (2005)
4-OCH₃C₆H₄OD (trans-p-methoxyphenol-d1-OD)	33,563	297.95	7.7107	62,191	28,628	349.31	JPCA, 109, 9481 (2005)
4-OCH₂DC₆H₄OH (trans-p-methoxyphenol-d1-OCH₂D)	33,575	297.84	7.7138	62,216	28,641	349.15	JPCA, 109, 9481 (2005)
C7H9N 2-CH₃C₆H₄NH₂, (o-methylaniline)	34,318	291.39	7.5629	61,002	26,684	374.76	SAA, 53A, 2595 (1997), JPCA, 106, 6462 (2002)
C7H9N 3-CH₃C₆H₄NH₂, (m-methylaniline)	33,821	295.67	7.5697	61,059	27,236	367.16	JPCA, 106, 6462 (2002)
C7H9N 1,4-CH₃C₆H₄NH₂, (p-methylaniline)	33,084	302.26	7.4582	60,160	27,076	369.36	JMSt, 446, 93 (1998), JPCA, 106, 6462 (2002)
C7H9N C₆H₅NH(CH₃), (N-methylaniline)	33,292	300.37	7.4166	59,822	26,530	376.93	JCP, 118, 4929 (2003)
C₆H₅ND(CH₃), (N-methylaniline-d1)	33,294	300.35	7.4144	59,801	26,507	377.26	CP, 295, 97 (2003)
C7H9NO 2-OCH₃C₆H₄NH₂ (o-methoxylaniline)	33,875	295.20	7.2751	58,678	24,803	403.17	JMSp, 244, 1 (2007)
C7H9NO cis-3-OCH₃C₆H₄NH₂ (cis-m-methoxylaniline)	34,308	291.48	7.4369	59,983	25,675	389.48	JMSp, 244, 1 (2007)
C7H9NO trans-3-OCH₃C₆H₄NH₂ (trans-m-methoxylaniline)	34,495	289.90	7.5480	60,879	26,384	379.02	JMSp, 244, 1 (2007)
C7H9NO 4-OCH₃C₆H₄NH₂ (p-methoxylaniline)	31,581	318.65	7.1219	57,445	25,864	386.64	CPL, 370, 44 (2003)
C7 (2 rings)
C7H6N2 C₇H₆N₂ (2-azaindole, indazole)	34,473	290.08	8.3743	67,543	33,070	302.39	CPL, 411, 86 (2005)
C7H5DN2 C₇H₅DN₂ (1D-2-azaindole, 1D-indazole)	34,478	290.04	8.3728	67,531	33,053	302.54	CPL, 501, 6 (2010)
C7H6N2 C₇H₆N₂ (3-azaindole, benzimidazole)	36,022	277.61	8.3754	67,552	31,530	317.16	CP, 334, 189 (2007)
C7H5DN2 C₇H₅DN₂ (1D2H-3-azaindole, 1D2H-benzimidazole)	36,028	277.56	8.3730	67,533	31,505	317.41	CPL, 501, 6 (2010)
C7H5DN2 C₇H₅DN₂ (1H2D-3-azaindole, 1H2D-benzimidazole)	36,046	277.42	8.3745	67,545	31,499	317.47	CPL, 501, 6 (2010)
C7H4D2N2 C₇H₄D₂N₂ (1D2D-3-azaindole, 1D2D-benzimidazole)	36,052	277.38	8.3728	67,531	31,479	317.67	CPL, 501, 6 (2010)
C7H6N2 C₇H₆N₂ (7-azaindole)	34,631	288.76	8.1163	65,462	30,831	324.35	CPL, 380, 503 (2003)
C8
C8H5F 2-FC₆H₄C≡CH (o-fluorophenylacetylene)	35,586	281.01	8.9239	71,976	36,390	274.80	JPCA, 118, 8277-8286 (2014)
C8H5F 3-FC₆H₄C≡CH (m-fluorophenylacetylene)	35,573	281.11	9.0010	72,598	37,025	270.09	JPCA, 118, 8277-8286 (2014)
C8H5F 4-FC₆H₄C≡CH (p-fluorophenylacetylene)	35,596	280.93	8.8028	70,999	35,403	282.46	JPCA, 118, 8277-8286 (2014)
C8H6 C₆H₅C≡CH (phenylacetylene)	35,879	278.71	8.8246	71,175	35,296	283.32	SAA, 52A, 1703 (1996)
C8H8 C₆H₅CH=CH₂ (styrene)	34,765	287.65	8.4644	68,270	33,505	398.46	AP, 53, 731 (1999)
C8H7F 3-FC₆H₄CH=CH₂ (cis-m-fluorostyrene)	34,409	290.62	8.6739	69,960	35,551	281.29	JMSp, 316, 72-78 (2015)
C8H7F 3-FC₆H₄CH=CH₂ (trans-m-fluorostyrene)	34,682	288.33	8.6610	69,856	35,174	284.30	JMSp, 316, 72-78 (2015)
C8H7N 4-(C≡CH)C₆H₄NH₂ (p-ethynylaniline)	32,656	306.22	7.5965	61,270	28,614	349.48	CPL, 543, 19 (2012)
C8H9N 4-(CH=CH₂)C₆H₄NH₂ (p-ethenylaniline, or p-vinylaniline)	31,490	317.56	7.3402	59,203	27,713	360.84	CP, 407, 71-75 (2012)
C8H9NO2 1,4-(NH₂)C₆H₄(COOCH₃) (methyl-p-aminobenzoate)	34,133	292.97	7.8791	63,549	29,416	339.95	CPL, 421, 77 (2006)
C8H10O 4-C₂H₅C₆H₄OH (p-ethylphenol)	35,504	281.66	8.1368	65,628	30,124	331.96	JCP, 120, 10513 (2004)
C8H10O cis-3-CH₃C₆H₄(OCH₃) cis-m-methylanisole	36,049	277.40	8.0415	64,859	28,810	347.10	APCS, 30, 1416-1425 (2014)
C8H10O trans-3-CH₃C₆H₄(OCH₃) trans-m-methylanisole	36,117	276.88	8.0726	65,110	28,993	344.91	APCS, 30, 1416-1425 (2014)
C8H10O 4-CH₃C₆H₄(OCH₃) p-methylanisole	35,410	282.41	7.9315	63,972	28,562	350.12	CPL, 414, 276 (2005)
C8H10O2 1,2-C₆H₄(OCH₃)₂ o-dimethoxybenzene	35,750	279.72	7.6395	61,617	25,867	386.59	JPCA, 114, 11144 (2010)
C8H10O2 1,3-C₆H₄(OCH₃)₂ m-dimethoxybenzene, a (IO)	36,117	276.88	7.8758	63,523	27,406	364.88	JPCA, 114, 11144 (2010)
C8H10O2 1,3-C₆H₄(OCH₃)₂ m-dimethoxybenzene, b (OO)	36,185	276.36	7.9959	64,491	28,306	353.28	JPCA, 114, 11144 (2010)
C8H10O2 1,3-C₆H₄(OCH₃)₂ m-dimethoxybenzene, c (II)	36,268	275.73	7.9050	63,758	27,490	363.77	JPCA, 114, 11144 (2010)
C8H10O2 cis-1,4-C₆H₄(OCH₃)₂ cis-p-dimethoxybenzene	33,852	295.40	7.5343	60,772	26,920	371.47	JMSt, 448, 91 (1998) JPCA, 105, 11455 (2001)
C8H10O2 trans-1,4-C₆H₄(OCH₃)₂ trans-p-dimethoxybenzene	33,631	297.34	7.5084	60,563	26,932	371.31	JMSt, 448, 91 (1998) JPCA, 105, 11455 (2001)
C8H10O2 c-1,4-C₆H₄(OH)(OC₂H₅) cis-p-ethoxyphenol	33,647	297.20	7.6461	61,670	28,023	356.85	CJCP, 22, 649 (2009)
C8H10O2 trans-1,4-C₆H₄(OH)(OC₂H₅) trans-p-ethoxyphenol	33,550	298.06	7.6331	61,565	28,015	356.95	CJCP, 22, 649 (2009)
C8H11N 2,6-(CH₃)₂C₆H₃NH₂ 2,6-dimethylaniline	34,736	287.89	7.4160	59,814	25,078	398.76	JCSFT, 94, 2913 (1998) CPL, 551, 50-53 (2012)
2,6-(CH₃)₂C₆H₃NHD 2,6-dimethylaniline-d1	34,740	287.85	7.4143	59,800	25,060	399.04	JCSFT, 94, 2913 (1998) CPL, 551, 50-53 (2012)
2,6-(CH₃)₂C₆H₃ND₂ 2,6-dimethylaniline-d2	34,748	287.79	7.4122	59,783	25,035	399.44	JCSFT, 94, 2913 (1998) CPL, 551, 50-53 (2012)
C8H11N 4-(C₂H₅)C₆H₄NH₂ (p-ethylaniline)	33,262	300.64	7.4335	59,959	26,697	374.57	JMSt, 482, 315 (1999) CPL, 362, 19 (2002)
4-(C₂H₅)C₆H₄NHD (p-ethylaniline-d1)	33,264	300.63					JMSt, 482, 315 (1999)
4-(C₂H₅)C₆H₄ND₂ (p-ethylaniline-d2)	33,272	300.55					JMSt, 482, 315 (1999)
C8H11N C₆H₅NH(C₂H₅), (N-ethylaniline)	33,297	300.33	7.3399	59,204	25,907	386.00	JCP, 118, 4929 (2003)
C₆H₅ND(C₂H₅), (N-ethylaniline-d1)	33,301	300.29	7.3380	59,185	25,884	386.34	CP, 295, 97 (2003)
C8H11N C₆H₅N(CH₃)₂, (N,N-dimethylaniline)	32,888	304.06	7.1929	58,018	25,130	397.93	JCP, 118, 4929 (2003)
C8 (2 rings)
C8H9N C₈H₉N, indoline	32,216	310.40	7.2244	58,269	26,053	383.83	JCP, 118, 10034 (2003)
C₈H₈ND, indoline-d1	32,254	310.04	7.2263	58,284	26,030	384.17	CPL, 371, 662 (2003)
C9
C9H10O m-C₆H₄(OCH₃)(CH=CH₂), Rotamer I (m-methoxystyrene-I)	32,767	305.19	8.1075	65,391	32,624	306.52	JCP, 142, 124314 (2015)
C9H10O m-C₆H₄(OCH₃)(CH=CH₂), Rotamer II (m-methoxystyrene-II)	32,907	303.89	8.0561	64,977	32,070	311.82	JCP, 142, 124314 (2015)
C9H10O m-C₆H₄(OCH₃)(CH=CH₂), Rotamer III (m-methoxystyrene-III)	33,222	301.01	8.0731	65,114	31,892	313.56	JCP, 142, 124314 (2015)
C9H10O m-C₆H₄(OCH₃)(CH=CH₂), Rotamer IV (m-methoxystyrene-IV)	33,281	300.47	8.0001	64,525	31,244	320.06	JCP, 142, 124314 (2015)
C9H10O cis-C₆H₄(OCH₃)(CH=CH₂) (cis-p-methoxystyrene)	33,250	300.75	7.7474	62,487	29,237	342.03	CPL, 503, 25 (2011)
C9H10O trans-C₆H₄(OCH₃)(CH=CH₂) (trans-p-methoxystyrene)	33,325	300.07	7.7505	62,512	29,187	342.62	CPL, 503, 25 (2011)
C9H12O trans-4-(n-C₃H₇)C₆H₄OH (trans-p-n-propylphenol)	35,501	281.68	8.0941	65,283	29,737	336.28	JCP, 122, 044311 (2005)
C9H12O ga-4-(n-C₃H₇)C₆H₄OH (gaucheA-p-n-propylphenol)	35,453	282.06	8.1067	65,385	29,932	334.09	JCP, 122, 044311 (2005)
C9H12O gb-1,4-(n-C₃H₇)C₆H₄OH (gaucheB-p-n-propylphenol)	35,441	282.16	8.1047	65,369	29,928	334.14	JCP, 122, 044311 (2005)
C9 (2 rings)
C₉H₈ C₉H₈, indene	34,725	287.98	8.1484	65,721	30,996	322.62	JPPA, 220, 139 (2011)
C₉H₉N C₉H₉N, 1-methylindole	34,540	289.52	7.5319	60,749	26,209	381.54	CPL, 377, 620 (2003)
C₉H₉N C₉H₉N, 3-methylindole	34,873	286.75	7.5232	60,679	25,806	387.51	JCP, 120, 5057 (2004)
C₉H₉N C₉H₉N, 5-methylindole	34,355	291.08	7.6493	61,696	27,341	365.75	JCP, 120, 5057 (2004)
C10
C10 (2 rings)
C₁₀H₇F 1-C₁₀H₇F 1-fluoronaphthalene	31,868	313.79	8.2070	66,194	34,326	291.32	JMSp, 281, 40-46 (2012)
C₁₀H₇F 2-C₁₀H₇F 2-fluoronaphthalene	31,803	314.44	8.2786	66,771	34,968	285.98	JMSp, 281, 40-46 (2012)
C11
C11 (2 rings)
C₁₁H₇N 1-C₁₀H₇CN 1-cyanonaphthalene	31,412	318.35	8.6127	69,466	38,054	262.78	CPL, 558, 20-24 (2013)
C₁₁H₁₀O trans-1-C₁₀H₇(OCH₃) trans-1-methoxynaphthalene	31,672	315.74	7.6073	61,357	29,685	336.87	JMSp, 284-285, 16-20 (2013)