NMR impurities in D₂O
Chemical shifts of common laboratory solvents, organics and gases measured in D₂O (deuterated water). Use it to identify the peaks in your spectrum that are not your compound.
- Residual solvent, ¹H
- 4.79 ppm
- Residual solvent, ¹³C
- — ppm
- Water, ¹H
- not reported ppm
To search these by shift instead of reading the table, open the lookup tool for D₂O or view them on a ppm axis.
¹H shifts in D₂O
51 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) | Mult. |
|---|---|---|---|
| pyridine | CH(2,6) | 8.52 | m |
| dimethylformamide | CH | 7.92 | s |
| pyridine | CH(4) | 7.87 | m |
| imidazole | CH(2) | 7.78 | s |
| pyridine | CH(3,5) | 7.45 | m |
| imidazole | CH(4,5) | 7.14 | s |
| pyrrole | CH(2,5) | 6.93 | m |
| pyrrole | CH(3,4) | 6.26 | m |
| propylene | CH | 5.90 | m |
| ethylene | CH₂ | 5.44 | s |
| propylene | CH₂(2) | 5.06 | dm, 17 |
| propylene | CH₂(1) | 4.95 | dm, 10 |
| solvent residual signalssolvent | — | 4.79 | — |
| nitromethane | CH₃ | 4.40 | s |
| ethyl acetate | CH₂CH₃ | 4.14 | q, 7 |
| 2-propanol | CH | 4.02 | sept, 6 |
| 18-crown-6 | CH₂ | 3.80 | s |
| 1,4-dioxane | CH₂ | 3.75 | s |
| tetrahydrofuran | CH₂(2,5) | 3.74 | m |
| diglyme | CH₂ | 3.67 | m |
| ethanol | CH₂ | 3.65 | q, 7 |
| ethylene glycol | CH₂ | 3.65 | s |
| diglyme | CH₂ | 3.61 | m |
| DME | CH₂ | 3.60 | s |
| diethyl ether | CH₂ | 3.56 | q, 7 |
| diglyme | OCH₃ | 3.37 | s |
| DME | CH₃ | 3.37 | s |
| methanol | CH₃ | 3.34 | s |
| pyrrolidine | CH₂(2,5) | 3.07 | m |
| dimethylformamide | CH₃ | 3.01 | s |
| dimethylformamide | CH₃ | 2.85 | s |
| HMPA | CH₃ | 2.61 | d, 9.5 |
| triethylamine | CH₂ | 2.57 | q, 7 |
| acetone | CH₃ | 2.22 | s |
| acetic acid | CH₃ | 2.08 | s |
| ethyl acetate | CH₃CO | 2.07 | s |
| acetonitrile | CH₃ | 2.06 | s |
| tetrahydrofuran | CH₂(3,4) | 1.88 | m |
| pyrrolidine | CH₂(3,4) | 1.87 | m |
| propylene | CH₃ | 1.70 | dt, 6.4, 1.5 |
| propane | CH₂ | 1.30 | sept, 7.3 |
| ethyl acetate | CH₂CH₃ | 1.24 | t, 7 |
| tert-butyl alcohol | CH₃ | 1.24 | s |
| 2-propanol | CH₃ | 1.17 | d, 6 |
| diethyl ether | CH₃ | 1.17 | t, 7 |
| ethanol | CH₃ | 1.17 | t, 7 |
| triethylamine | CH₃ | 0.99 | t, 7 |
| propane | CH₃ | 0.88 | t, 7.3 |
| ethane | CH₃ | 0.82 | s |
| HMDSO | CH₃ | 0.28 | s |
| methane | CH₄ | 0.18 | s |
¹³C{¹H} shifts in D₂O
48 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) |
|---|---|---|
| acetone | CO | 215.94 |
| carbon disulfide | CS₂ | 197.25 |
| acetic acid | CO | 177.21 |
| ethyl acetate | CO | 175.26 |
| dimethylformamide | CH | 165.53 |
| pyridine | CH(2,6) | 149.18 |
| pyridine | CH(4) | 138.27 |
| imidazole | CH(2) | 136.65 |
| pyridine | CH(3,5) | 125.12 |
| imidazole | CH(4,5) | 122.43 |
| acetonitrile | CN | 119.68 |
| pyrrole | CH(2,5) | 119.06 |
| pyrrole | CH(3,4) | 107.83 |
| carbon tetrachloride | CCl₄ | 96.73 |
| diglyme | CH₂ | 71.63 |
| DME | CH₂ | 71.49 |
| tert-butyl alcohol | (CH₃)₃C | 70.36 |
| 18-crown-6 | CH₂ | 70.14 |
| diglyme | CH₂ | 70.05 |
| tetrahydrofuran | CH₂(2,5) | 68.68 |
| 1,4-dioxane | CH₂ | 67.19 |
| diethyl ether | CH₂ | 66.42 |
| 2-propanol | CH | 64.88 |
| nitromethane | CH₃ | 63.22 |
| ethylene glycol | CH₂ | 63.17 |
| ethyl acetate | CH₂ | 62.32 |
| diglyme | CH₃ | 58.67 |
| DME | CH₃ | 58.67 |
| ethanol | CH₂ | 58.05 |
| methanol | CH₃ | 49.50 |
| triethylamine | CH₂ | 47.19 |
| pyrrolidine | CH₂(2,5) | 46.83 |
| dimethylformamide | CH₃ | 37.54 |
| HMPA | CH₃ | 36.46 |
| dimethylformamide | CH₃ | 32.03 |
| acetone | CH₃ | 30.89 |
| tert-butyl alcohol | (CH₃)₃C | 30.29 |
| pyrrolidine | CH₂(3,4) | 25.86 |
| tetrahydrofuran | CH₂(3,4) | 25.67 |
| 2-propanol | CH₃ | 24.38 |
| ethyl acetate | CH₃CO | 21.15 |
| acetic acid | CH₃ | 21.03 |
| ethanol | CH₃ | 17.47 |
| diethyl ether | CH₃ | 14.77 |
| ethyl acetate | CH₃ | 13.92 |
| triethylamine | CH₃ | 9.07 |
| HMDSO | CH₃ | 2.31 |
| acetonitrile | CH₃ | 1.47 |
Other solvents
Data reproduced from Fulmer et al., Organometallics 2010, 29, 2176-2179. See about for how to read these values.