A. 1H NMR chemical shifts (d, ppm) of common solvents in deuterated solvents

[Underlined values refer to residual, incompletely deuterated solvents; (#) = multiplicity.]

Solvent CDCl3 DMSO-d6 Pyridine-d5 C6D6 D2O CF3CO2D
Acetic acid 2.13 1.95 2.13 1.63 2.16 2.28
Acetone 2.17 2.12 2.00 1.62 2.22 2.41
Acetonitrile 1.98 2.09 1.85 0.67 2.05 2.08
Benzene 7.37 7.40 7.33 7.30 7.44 7.33
Chloroform 7.27 8.35 8.41 6.41 - 7.25
Dichloromethane 5.30 5.79 5.62 4.46 - 5.26
Diethyl ether 3.48 (4)
1.20 (3)
3.42
1.13
3.38
1.12
3.27
1.10
3.56
1.17
3.83
1.34
Dimethyl formamide 2.88
2.95
8.01
2.76
2.92
7.98
2.66
2.72
-
1.98
2.40
-
2.86
3.00
7.91
3.26
3.37
8.40
Dimethyl sulfoxide 2.62 2.52 2.49 1.91 2.70 2.98
Ethanol 1.24 (3)
3.72 (4)
1.09
3.49
1.29
3.86
0.97
3.39
1.16
3.64
1.39
4.01
Ethyl acetate 1.25 (3)
2.04 (1)
4.12 (4)
1.21
2.02
4.08
1.10
1.94
4.06
0.94
1.68
3.91
1.23
2.08
4.14
1.37
2.22
4.31
Methanol 3.48 3.20 3.57 3.09 3.35 3.68
Pyridine 7.28 (m)
7.69 (m)
8.60 (m)
7.40
7.83
8.61
7.21
7.58
8.71
6.70
7.05
8.50
7.46
7.90
8.50
8.21
8.79
8.92

B. 1H NMR chemical shifts (d, ppm) of water in deuterated solvents

Solvent d, ppm Solvent d, ppm
Acetone-d6 2.85 Dimethyl sulfoxide-d6 3.32
Acetonitrile-d3 2.16 Dioxane-d8 2.43
Benzene-d6 0.50 Pyridine-d5 4.96
Chloroform-d 1.54 Tetrahydrofurane-d8 2.23
Dichloromethane-d2 1.52 Toluene-d8 0.52
Dimethyl formamide-d7 3.48

C. 13C NMR chemical shifts (d, ppm) of deuterated solvents [(#) = multiplicity]

Solvent d, ppm Solvent d, ppm
Acetic acid-d4 20.03 (7)
178.41 (1)
Dimethyl sulfoxide-d6 39.43 (7)
Acetone-d6 20.83 (7)
206.18 (1)
Dioxane-d8 66.46 (5)
Acetonitrile-d3 1.24 (7)
118.10 (1)
Ethanol-d6 17.20 (7)
56.82 (5)
Benzene-d6 128.02 (3) Methanol-d4 49.05 (7)
Chloroform-d 77.00 (3) Nitromethane-d3 62.81 (7)
Cyclohexane-d12 26.40 (5) Pyridine-d5 123.44 (3)
135.43 (3)
149.84 (3)
Dichloromethane-d2 53.80 (5) Tetrahydrofurane-d8 25.30 (5)
67.40 (5)
Dimethyl formamide-d7 30.11 (7)
35.19 (7)
162.67 (3)
Toluene-d8 20.40 (7)
125.10 (3)
128.00 (3)
128.90 (3)
137.50 (1)