NMR Solvent Chart

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