Common NMR Solvents
| Solvent | Mol. Wt. | D420 (g/mL) | mp* | bp* | δH (mult)** | δC (mult)** |
|---|---|---|---|---|---|---|
| Acetic acid-d4 | 64.078 | 1.12 | 17 | 118 | 11.53 (1) 2.03 (5) |
178.4 (br) 20.0 (7) |
| Acetone-d6 | 64.117 | 0.87 | -94 | 57 | 2.04 (5) | 206.0 (13) 29.8 (7) |
| Acetonitrile-d3 | 44.071 | 0.84 | -45 | 82 | 1.93 (5) | 118.2 (br) 1.3 (7) |
| Benzene-d6 | 84.152 | 0.95 | 5 | 80 | 7.15 (br) | 128.0 (3) |
| Carbon tetrachloride | 153.81 | 1.59 | -23 | 77 | 96.0 (1) | |
| Chloroform-d | 120.384 | 1.50 | -64 | 62 | 7.24 (1) | 77.0 (3) |
| Cyclohexane-d12 | 96.236 | 0.89 | 6 | 81 | 1.38 (br) | 26.4 (5) |
| Deuterium oxide | 20.028 | 1.11 | 3.8 | 101.4 | 4.63*** 4.67(Na3PO4) |
|
| Diglyme-d14 | 148.263 | 0.95 | -68 | 162 | 3.49 (br) 3.40 (br) 3.22 (br) |
70.7 (5) 70.0 (5) 57.7 (7) |
| Dimethyl formamide-d7 | 80.138 | 1.04 | -61 | 153 | 8.01 (br) 2.91 (5) 2.74 (5) |
162.7 (3) 35.2 (7) 30.1 (7) |
| Dimethyl sulfoxide-d6 | 84.170 | 1.18 | 18 | 189 | 2.49 (5) | 39.5 (7) |
| p-Dioxane-d8 | 96.156 | 1.13 | 12 | 101 | 3.53 (m) | 66.5 (5) |
| Methyl alcohol-d4 | 36.067 | 0.89 | -98 | 65 | 4.78 (1) 3.30 (5) |
49.0 (7) |
| Methylene chloride-d2 | 86.945 | 1.35 | -95 | 40 | 5.32 (3) | 53.8 (5) |
| Nitromethane-d3 | 64.059 | 1.20 | -29 | 101 | 4.33 (5) | 62.8 (7) |
| Pyridine-d5 | 84.133 | 1.05 | -42 | 116 | 8.71 (br) 7.55 (br) 7.19 (br) |
149.9 (3) 135.5 (3) 123.5 (3) |
| Tetrahydrofuran-d8 | 80.157 | 0.99 | -109 | 66 | 3.58 (br) 1.73 (br) |
67.4 (5) 25.3 (br) |
| Toluene-d8 | 100.191 | 0.94 | -95 | 111 | 7.09 (m) 7.00 (br) 6.98 (m) 2.09 (m) |
137.5 (1) 128.9 (3) 128.0 (3) 125.2 (3) 20.4 (7) |
| Trifluoroacetic acid-d | 115.030 | 1.50 | -15 | 72 | 11.50 (1) | 164.2 (4) 116.6 (4) |
* Melting and boiling points (°C) are those of the corresponding light compound (except for D2O).
** δH = chemical shift of residual protons; δC = 13C chemical shift (both relative to TMS). Mult = multiplicity of peak (m = broad peak with fine structure; br = broad peak without fine structure).
*** Since TMS is insoluble in water, reference is (CH3)3Si(CH2)3SO3Na (DSS).
Reference: Merck, Sharpe & Dohme compilation.