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
Merck Tabellen
1H chemical shifts (overview)
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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