1H chemical shifts

1H chemical shifts

SiMe4 = 0 ppm

All chemical shifts given in ppm!

Source: Rauscher, Voigt, Wilke, Wilke

Chemische Tabellen und Rechentafeln für die analytische Praxis

Type chemical shift range
-CH3 0.5 to 4.1
-CH2 1.0 to 4.8
>C- 1.4 to 5.9
=CH- 4.9 to 7.0
=CH2 4.3 to 5.2
≡CH 1.8 to 3.2
Ar-H 5.9 to 9.0
R-CHO 9.0 to 10.0
Ar-CHO 9.5 to 10.5
-COOH 9.0 to 13.0
R-OH 1.2 to 5.1
Ar-OH 3.9 to 6.5
R-SH 1.0 to 2.1
Ar-SH 3.0 to 4.0
R-NH2; -NH- 1.0 to 3.0
Ar-NH2; -NH- 3.0 to 6.0
>CH=NOH 9.0 to 12.0
-CO-NH- 5.8 to 8.5
-O-CO-NH- 8.0 to 8.2
=C-NH-C= 7.0 to 8.0

1H (Methyl) chemical shifts

SiMe4 = 0 ppm

All chemical shifts given in ppm!

Source: Rauscher, Voigt, Wilke, Wilke

Chemische Tabellen und Rechentafeln für die analytische Praxis

Type chemical shift range
CH3-SiR3 0 to 0.57
CH3-C-CR3 0.77 to 1.10
CH3-C-N< 0.95 to 1.23
CH3-C-CO- 1.04 to 1.23
CH3-C-Ar 1.20 to 1.32
CH3-C-O- 0.98 to 1.44
CH3-C-S- 1.23 to 1.53
CH3-C-Hal 1.49 to 1.88
CH3-C-NO2 1.5 to 1.7
CH3-C=C< 1.59 to 2.14
CH3-C≡ 1.83 to 2.12
CH3-CO-N- 1.9 to 2.1
CH3-CO-O-R 1.97 to 2.11
CH3-CO-O-Ar 2.35 to 2.45
CH3-CO-C- 1.85 to 2.41
CH3-CO-C=C< 2.06 to 2.31
CH3-CO-Ar 2.45 to 2.68
CH3-Hal 2.16 to 4.30
CH3-N-C- 2.12 to 2.34
CH3-N-Ar 2.71 to 3.10
CH3-N-C=C< 2.74 t 3.05
CH3-S- 2.02 t 2.58
CH3-Ar 2.14 to 2.76
CH3-N= 3.0 to 3.0
CH3-N+ 3.3
CH3-O-CR3 3.24 to 3.47
CH3-O-Ar 3.61 to 3.86
CH3-O-CO 3.57 to 3.96

1H (Methylene) chemical shifts

SiMe4 = 0 ppm

All chemical shifts given in ppm!

Source: Rauscher, Voigt, Wilke, Wilke

Chemische Tabellen und Rechentafeln für die analytische Praxis

Type chemical shift range
-C-CH2-SiR3 0.51 to 0.97
-C-CH2-C-CR3 0.98 to 1.54
-C-CH2-C-N< 1.33 to 1.62
-C-CH2-C-C=C< 1.63 to 1.77
-C-CH2-C-Hal 1.66 to 2.03
-C-CH2-C-O- 1.79 to 2.02
-C-CH2-C=C< 1.86 to 2.12
-C_CH2-CO_ 2.07 to 2.42
-C-CH2-C≡ 2.13 to 2.80
-C-CH2-S- 2.39 to 2.97
-C-CH2-N(CR3)2 2.30 to 2.53
-C-CH2-NH2 2.45 to 2.63
-C-CH2-NH-CR3 2.49 to 2.74
-C-CH2-N-Ar 3.00 to 3.60
-C-CH2-N-C=C< 3.12 to 3.43
-C-CH2-Ar 2.62 to 3.34
-C-CH2-Br 3.26 to 3.63
-C-CH2-Cl 3.35 to 3.69
-C-CH2-F 4.06 to 4.32
=C-CH2-S- 3.02 to 3.25
>C-C-CH2-C=C< 2.70 to 2.73
-CO-CH2-CO- 3.25 to 3.92
=C-CH2-N< 2.93 to 3.79
=C-CH2-C≡ 3.41 to 4.08
=C-CH2-I 3.64 to 3.73
=C-CH2-Br 3.70 to 4.37
=C-CH2-Cl 3.92 to 4.58
=C-CH2-N= 4.05 to 4.80
=C-CH2-O- 4.17 to 5.15
-C-CH2-O-CR3 3.36 to 3.63
-C-CH2-O-C=C< 3.36 to 3.67
-C-CH2-O-Ar 3.88 to 4.16
-C-CH2-O-CO- 4.02 to 4.39
=C-CH2-Ar 3.45 to 3.97
-C-CH2-N= 3.34 to 3.61
≡C-CH2-N< 3.24 to 3.88
≡C-CH2-Br 3.82 to 4.05
≡C-CH2-Cl 4.00 to 4.13
≡C-CH2-O-CR3 4.02 to 4.21
≡C-CH2-O-Ar 4.69 to 4.96
Ar-CH2-S- 3.45 to 4.03
Ar-CH2-Ar 3.81 to 3.96
Ar-CH2-N-CR3 3.32 to 3.82
-C-CH2-I 3.07 to 3.20
Ar-CH2-N-Ar 4.08 to 4.43
Ar-CH2-N-CO- 4.12 to 4.29
Cl-CH2-P- 4.20
Ar-CH2-Br 4.32 to 4.43
Ar-CH2-Cl 4.45 to 4.60
-O-CH2-O- 4.41 to 4.82
Ar-CH2-O-CR3 4.34 to 4.52
Ar-CH2-O-Ar 4.96 to 5.10
Ar-CH2-O-CO- 4.97 to 5.34
Cl-CH2-O- 5.35 to 5.51
-C-CH2-C-NO2 2.1
-C-CH2-NO2 4.4

1H (Methine) chemical shifts

SiMe4 = 0 ppm

All chemical shifts given in ppm!

Source: Rauscher, Voigt, Wilke, Wilke

Chemische Tabellen und Rechentafeln für die analytische Praxis

R1-CH(R2)-R3

R1 R2 R3 chemical shift range
-CR3 -CR3 -CR3 1.35 to 2.07
-CR3 -CR3 -C= 2.14 to 2.85
-CR3 -CR3 -Ar 2.35 to 3.10
-CR3 -CR3 -S- 2.70 to 3.00
-CR3 -CR3 -N< 2.80 to 3.45
-CR3 -CR3 -O- 3.26 to 4.05
-CR3 -CR3 -Hal 3.80 to 4.60
-CR3 -CR3 -O-CO- 4.83 to 5.20
-CR3 >C= >C= 3.73 to 3.97
-CR3 >C= -Hal 3.90 to 4.80
-CR3 >C= -O- 4.10 to 4.93
-CR3 >C= -S- 4.10 to 4.93
-CR3 -O- -Ar 3.87 to 4.69
-CR3 -O- -C≡ 4.28 to 4.85
-CR3 -O- -O- 4.48 to 4.86
-CR3 -O- -Hal 5.45 to 5.70
-CR3 -N< -C≡ 3.60 to 3.82
-CR3 -Hal -Hal 5.50 to 6.10
-CR3 -Ar -N< 3.85 to 4.07
-CR3 -Ar -Ar 3.90 to 4.80
-CR3 -Ar -Hal 5.10 to 5.46
-CR3 -Ar -O-CO- 5.52 to 5.90
>C= >C= >C= 3.25
>C= >C= -O- 4.60
>C= -C≡ -N< 4.70
>C= -Ar -Ar 5.1
>C= -Hal -Hal 5.84 to 6.06
>C= -Ar -O- 5.0 to 6.9
-Ar -Ar -Ar 5.09 to 5.37
-Ar -Ar -O- 5.75
-Ar -Ar -Hal 6.46 to 7.06
-Ar -O- -O- 7.5
-Ar -O- -C≡ 5.17 to 5.40
-Ar -Hal -Hal 6.50 to 7.06
-Hal -Hal -C≡ 5.81 to 6.14
-Hal -Hal -Hal 6.76 to 7.30

1H (Methine) chemical shifts

SiMe4 = 0 ppm

All chemical shifts given in ppm!

Source: Rauscher, Voigt, Wilke, Wilke

Chemische Tabellen und Rechentafeln für die analytische Praxis

R1R2C == CR3R4

R1 R2 R3 R4 chemical shift range
-H -H -H -CR3 R1, R2 4.60 to 4.95 R3 5.59 to 5.85
-H -H -H -S- R1, R2 4.88 to 5.24 R3 6.18 to 6.43
-H -H -H -O-CR3 R1, R2 3.56 to 4.06 R3 6.09 to 6.35
-H -H -H -O-Ar R1, R2 4.03 to 4.60 R3 6.20 to 6.41
-H -H -H -O-CO- R1, R2 4.20 to 4.70 R3 7.05 to 7.25
-H -H -H -Br,-Cl R1, R2, R3 5.30 to 6.25
-H -H -H -CO- R1 5.70 to 6.05 R2, R3 6.25 to 7.00
-H -H -H -CO- R1 5.70 to 6.05 R2, R3 6.25 to 7.00
-H -H -H -CO-O- R1, R3 5.47 to 5.88 R2 6.15 to 6.42
-H -H -H -C≡ R1, R2, R3 5.40 to 6.00
-H -H -H -Ar R1, R2 4.82 to 5.50 R3 6.09 to 6.56
-H -H -H >C=C< R1, R2 4.76 to 5.47 R3 5.90 to 6.85
-H -H -H -N< R1, R2 3.70 to 5.00 R3 5.70 to 8.00
-H -H -CR3 -CR3 R1, R2 4.60 to 4.91
-H -H -CR3 -O-C3 R1, R2 3.60 to 3.88
-H -H -CR3 -Ar R1, R2 4.95 to 5.45
-H -H -C3 -C≡ R1, R2 5.85 to 6.05
-H -H -CR3 -Br, -Cl R1, R2 5.18 to 5.66
-H -H -CR3 -CO-O- R1 5.66 to 5.90 R2 6.25 to 6.50
-H -H -CR3 >C=C< R1, R2 4.47 to 5.60
-H -H -Ar -Ar R1, R2 5.40
-H -CR3 -H -CR3 R1, R2 5.14 to 5.43
-H -CR>3 -H -C≡ R1 6.09 to 6.35 R3 5.03 to 5.28
-H -CR3 -H -Cl R1, R3 5.60 to 5.95
-H -CR3 -H >C=C< R1 4.78 to 5.32 R3 5.81 to 6.57
-H -CR3 -H -Ar R1, R3 5.56 to 6.20
-H -Ar -H -Ar R1, R3 6.19 to 6.45
-CR3 -H -H -CR3 R2, R3 5.07 to 5.47
-CR3 -H -H -C≡ R2 6.39 to 6.68 R3 5.06 to 5.36
-CR3 -H -H >C=C< R2 4.82 to 5.47 R3 5.93 to 6.64
-CR3 -H -H -CO-O- R2 7.00 to 7.22 R3 5.72 to 5.94
-CR3 -H -H -Ar R2 5.30 to 5.60 R3 6.08 to 6.40
-Ar -H -H -CO-O- R2 7.05 to 7.27 R3 6.25 to 6.53
-Ar -H -H -Ar R2, R3 7.00 to 7.24
-Ar -H -H -NO2 R2, R3 6.05 to 6.38
-CR3 -CR3 -H -CR3 R3 5.00 to 5.35
-CR3 -CR3 -H -Cl R3 5.60 to 5.88
-CR3 -CR3 -H -CO-O- R3 5.55 to 5.84
-CR3 -CR3 -H -Ar R3 6.08 to 6.28
-CR3 -CR3 -H >C=C< R3 5.80 to 6.05
-CR3 -CR3 -H -CO–CR3 R3 5.90 to 6.12
-CR3 -H -CR3 -O–CR3 R2 4.24 to 4.53
-H -CR3 -CR3 -O–CR3 R1 4.12 to 4.40
-Cl -CR3 -H -CO-O- R3 6.00 to 6.25
-H -CR3 -CR3 -CO-O- R1 6.15 to 6.40

1H (aromatic) chemical shifts

SiMe4 = 0 ppm

All chemical shifts given in ppm!

Source: Rauscher, Voigt, Wilke, Wilke

Chemische Tabellen und Rechentafeln für die analytische Praxis

chemical shift differences given relativ to benzene δ = 7.27ppm; a positive sign means downfield

Substituent Δortho Δmeta %Delta;para
-NO2 0.94 0.18 0.39
-CHO 0.58 0.20 0.26
-COOH 0.80 0.16 0.25
-COOCH3 0.71 0.08 0.20
-COCl 0.82 0.21 0.35
-CCl3 0.80 0.20 0.20
-COCH3 0.62 0.10 0.25
-CN 0.26 0.18 0.30
-CONH2 0.65 0.20 0.22
-N+H3 0.40 0.20 0.20
-CH2R 0…0.1 0…0.1 0…0.1
-CH3 -0.16 -0.09 -0.17
-CH2CH3 -0.15 -0.06 -0.18
-CH(CH3)2 -0.14 -0.09 -0.18
-C(CH3)3 -0.09 0.05 -0.23
-F -0.30 -0.02 -0.23
-Cl 0.01 -0.06 -0.08
-Br 0.19 -0.12 -0.05
-I 0.39 -0.25 -0.02
-NH2 -0.76 -0.25 -0.63
-OCH3 -0.46 -0.10 -0.41
-OH -0.49 -0.13 -0.2
-OCOR -0.2 0.1 -0.2
-NHCH3 -0.8 -0.3 -0.6
-N(CH3)2 -0.60 -0.10 -0.62

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