1H and 13C Chemical Shifts

Where ranges are not given, a wise assumption would be ± 0.4 ppm for H, and ± 3 ppm for C.

Compound Class Structure 1H, ppm 13C, ppm
Alkanes CH3 0.6 - 1.2 15 - 30
  CH2 1.2 - 1.5 22 - 45
  CH 1.4 - 1.8 30 - 58
Cycloalkanes 3-ring CH2 -0.2 - 0.2 -2.9
  4-ring CH2 1.95 22.3
  5-ring CH2 1.50 26.5
  6-ring CH2 1.44 27.3
Various CH3 CH3-C-C-G

(G = X, OH, OR, N ..)

0.8 - 1.4 27 - 29
  CH3-C-G

(G = C=C, Ar)

1.05 - 1.20 15 - 30
  CH3-C-G

(G = X, OH, OR, C=O)

1.0 - 2.0 25 - 30
  CH3 -C=C 1.5 - 2.0 12 - 25
  CH3-COR, CH3-Ar 2.1 - 2.4 20 - 30
  CH3-Cº C 1.7 5 - 30
  CH3-G

(G = N, X)

2.2 - 3.5 25 - 35
  CH3-G

(G = OR, OAr)

3.2 - 3.8 56 - 60
Various CH2 R-CH2-G, G = C=O 2.3 - 2.6 32 - 45
  G = C=C 1.9 - 2.3 32 - 35
  G = Ar 2.4 - 2.7 38 - 40
  G = F 4.3 88
  G = Cl 3.4 51
  G = Br 3.3 40
  G = I 3.1 13
  G = OH, OR 3.5 67 - 69
  G = NH2 2.5 47 - 49
  G = NR2 2.5 60 - 62
  R = CO2H 2.4 39 - 41
  G = CN 2.5 25 - 27
Various CH R2CH-G, G = C=O 2.5 40
  G = C=C 2.2 ?
  G = Ar 2.8 32
  G = F 4.6 83
  G = Cl 4.0 52
  G = Br 4.1 45
  G = I 4.2 20
  G = OH, OR 3.9 57 - 58
  G = NH2 2.8 43
  G = NR2 2.8 56
  G = CO2H 2.6 ?
  G = CN 2.7 23
Alkenes =CH2 4.5 - 5.0 115
  =CH2 (conjugated) 5.3 - 5.8 117
  =CHR 5.1 - 5.8 120 - 140
  =CHR (conjugated) 5.8 - 6.6 130 -140
  C=C=CH2 4.4 75 - 90
  C=C=C N.A.. 210 - 220
Alkynes RCºCH 2.4 - 2.7 65 - 70
  RCºCH N.A. 85 - 90
Benzenes General Ranges 6.5 - 8.5 115 - 160
Specific examples: PhNO2, ipso-

ortho-

meta-

para-

N.A.

8.2

7.4

7.6

148.5

123.5

129.4

134.3

  PhOCH3, ipso-

ortho-

meta-

para-

N.A.

6.8

7.2

6.7

159.9

114.1

129.5

120.8

  PhBr, ipso-

ortho-

meta-

para-

N.A.

7.5

7.1

6.7

123.0

131.9

130.2

126.9

  PhCH3, ipso-

ortho-

meta-

para-

N.A.

7.4

7.2

7.1

137.8

129.3

128.5

125.6

Carbonyl Groups (aldehydes) RCHO 9.4 - 9.7 200
  ArCHO 9.7 - 10.0 190
(ketones) R2CO N.A. 205 - 215
  5-ring C=O N.A. 214
  6-ring C=O N.A. 209
  ArCOR N.A. 190 - 200
(carboxyls) RCO2H, ArCO2H N.A. 170 - 180
(esters) RCO2R, ArCO2R N.A. 165 - 172
(acid chlorides) RCOCl, ArCOCl N.A. 168 - 170
(amides) RCONH2, ArCONH2 N.A. 170
Nitriles RCºN N.A. 115 - 125
Exchangeable (Acidic) Hydrogens ROH (free) 0.5 - 1.0 N.A.
  ROH (H-bonded) 4.0 - 6.0 N.A.
  ArOH (free) 4.5 N.A.
  ArOH (H-bonded) 9.0 - 12.0 N.A.
  CO2H (H-bonded) 9.6 - 13.3 N.A.
  NH, NH2 (free) 0.5 - 1.5 N.A.
  ArNHR, ArNH2 (free) 2.5 - 4.0 N.A.
  R3NH+, R2NH2+, RNH3+ (in CF3CO2H) 7.0 - 8.0 N.A.
  Ar3NH+ , etc. (in CF3CO2H) 8.5 - 9.5 N.A.
  RSH 1.0 - 1.6 N.A.
  ArSH 3.0 - 4.0 N.A.

References

1. Carbon chemical shifts are taken largely from: Wehrli, F. W.; Wirthlin, T. "Interpretation of Carbon-13 NMR Spectra", Heyden, New York, 1976.

2. Hydrogen chemical shifts and some carbon shifts are taken from: Silverstein, R. M.; Webster, F. X.; and Kiemle, D. J., "Spectrometric Identification of Organic Compounds", 7th edition, John Wiley and Sons, New York, 2005.


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