Below is a chart of common solvent impurities found in an NMR spectrum. A PDF version of this chart is available here.
Solvent |
¹H Chemical Shift (multiplicity) |
JHD (Hz) |
¹³C Chemical Shift (multiplicity) |
JCD (Hz) |
1H Chemical Shift of HOD |
Density at 20°C |
Melting Point (°C) |
Boiling Point (°C) |
Dielectric Constant |
Molecular Weight |
|
Acetic Acid-d₄ |
11.65 (1) 2.04 (5) |
2.2 | 178.99 (1) 20.0 (7) |
20 | 11.5 | 1.12 | 16.7 | 118 | 6.1 | 64.08 |
|
Acetone-d₆ |
2.05 (5) | 2.2 | 206.68 (1) 29.92 (7) |
0.9 19.4 |
2.8 | 0.87 | -94 | 56.5 | 20.7 | 64.12 |
|
Acetonitrile-d₃ |
1.94 (5) | 2.5 | 118.69 (1) 1.39 (7) |
21 | 2.1 | 0.84 | -45 | 81.6 | 37.5 | 44.07 |
|
Benzene-d₆ |
7.16 (1) | 128.39 (3) | 24.3 | 0.4 | 0.95 | 5.5 | 80.1 | 2.3 | 84.15 | |
|
Chloroform-d |
7.24 (1) | 77.23 (3) | 32 | 1.5 | 1.50 | -63.5 | 61-62 | 4.8 | 120.38 | |
|
Cyclohexane-d₁₂ |
1.38 (1) | 26.43 (5) | 19 | 0.8 | 0.89 | 6.47 | 80.7 | 2.0 | 120.38 | |
|
Deuterium Oxide |
4.80 (DSS) 4.81 (TSP) |
NA | NA | 4.8 | 1.11 | 3.81 | 101.42 | 78.5 | 20.03 | |
|
N, N-Dimethylformamide-d₇ |
8.03 (1) | 163.15 (3) | 29.4 | 3.5 | 1.03 | -61 | 153 | 36.7 | 80.14 | |
| 2.92 (5) | 1.9 | 34.89 (7) | 21.0 | |||||||
| 2.75 (5) | 1.9 | 29.76 (7) | 21.1 | |||||||
|
Dimethyl Sulfoxide-d₆ |
2.50 (5) | 1.9 | 39.51 (7) | 21.0 | 3.3 | 1.19 | 18.55 | 189 | 46.7 | 84.17 |
|
1,4-Dioxane-d₈ |
3.53 (m) | 66.66 (5) | 21.9 | 2.4 | 1.13 | 11.8 | 101.1 | 2.2 | 96.16 | |
|
Ethanol-d₆ |
5.19 (1) | 5.3 | 0.89 | -114.1 | 78.5 | 24.5 | 52.11 | |||
| 3.56 (1) | 56.96 (5) | 22 | ||||||||
| 1.11 (m) | 17.31 (7) | 19 | ||||||||
|
Methanol-d₄ |
4.78 (1) | 4.9 | 0.89 | -97.8 | 64.7 | 32.7 | 36.07 | |||
| 3.31 (5) | 1.7 | 49.15 (7) | 21.4 | |||||||
|
Methylene Chloride-d₂ |
5.32 (3) | 1.1 | 54.00 (5) | 27.2 | 1.5 | 1.35 | -95 | 39.75 | 8.9 | 86.95 |
|
Pyridine-d₅ |
8.74 (1) | 150.35 (3) | 27.5 | 5 | 1.05 | -41.6 | 115.2-115.3 | 12.4 | 84.13 | |
| 7.58 (1) | 135.91 (3) | 24.5 | ||||||||
| 7.22 (1) | 123.87 (3) | 25 | ||||||||
|
1,1,2,2-Tetrachloroethane-d₂ |
6.0 | 73.78 (3) | 1.62 | -44 | 146.5 | 8.20 | 169.86 | |||
|
Tetrahydrofuran-d₈ |
3.58 (1) | 67.57 (5) | 22.2 | 2.4-2.5 | 0.99 | -108.5 | 666 | 7.6 | 80.16 | |
| 1.73 (1) | 25.37 (5) | 20.2 | ||||||||
|
Toluene-d₈ |
137.86 (1) | 0.4 | 0.94 | -95 | 110.6 | 2.4 | 100.19 | |||
| 7.09 (m) | 129.24(3) | 23 | ||||||||
| 7.00 (1) | 128.33 (3) | 24 | ||||||||
| 6.98 (5) | 125.49 (3) | 24 | ||||||||
| 2.09 (5) | 2.3 | 20.4 (7) | 19 | |||||||
|
Trifluoroacetic Acid-d |
11.50 (1) | 164.2 (4) | 11.5 | 1.49 | -15.4 | 72.4 | 115.03 | |||
| 116.6 (4) | ||||||||||
|
Trifluoroethanol-d₃ |
5.02 (1) | 126.3 (4) | 5 | 1.41 | -43.5 | 74.05 | 103.06 | |||
| 3.88 (4×3) | 2(9) | 61.5 (4×5) | 22 |