NMR impurities in Acetonitrile-d₃ (CD₃CN)
Chemical shifts of common laboratory solvents, organics and gases measured in CD₃CN (deuterated acetonitrile). Use it to identify the peaks in your spectrum that are not your compound.
- Residual solvent, ¹H
- 1.94 ppm
- Residual solvent, ¹³C
- 1.32, 118.26 ppm
- Water, ¹H
- 2.13 ppm
To search these by shift instead of reading the table, open the lookup tool for CD₃CN or view them on a ppm axis.
¹H shifts in Acetonitrile-d₃
70 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) | Mult. |
|---|---|---|---|
| pyrrole | NH | 9.27 | br t |
| pyridine | CH(2,6) | 8.57 | m |
| dimethylformamide | CH | 7.92 | s |
| pyridine | CH(4) | 7.73 | m |
| chloroform | CH | 7.58 | s |
| imidazole | CH(2) | 7.57 | s |
| benzene | CH | 7.37 | s |
| pyridine | CH(3,5) | 7.33 | m |
| toluene | CH(2,4,6) | 7.10–7.30 | m |
| toluene | CH(3,5) | 7.10–7.30 | m |
| imidazole | CH(4,5) | 7.01 | s |
| pyrrole | CH(2,5) | 6.75 | m |
| pyrrole | CH(3,4) | 6.10 | m |
| propylene | CH | 5.85 | m |
| dichloromethane | CH₂ | 5.44 | s |
| ethylene | CH₂ | 5.41 | s |
| propylene | CH₂(2) | 5.04 | dm, 17 |
| propylene | CH₂(1) | 4.93 | dm, 10 |
| hydrogen | H₂ | 4.57 | s |
| nitromethane | CH₃ | 4.31 | s |
| ethyl acetate | CH₂CH₃ | 4.06 | q, 7 |
| 2-propanol | CH | 3.87 | sept, 6 |
| 1,2-dichloroethane | CH₂ | 3.81 | s |
| tetrahydrofuran | CH₂(2,5) | 3.64 | m |
| 1,4-dioxane | CH₂ | 3.60 | s |
| ethanol | CH₂ | 3.54 | q, 7 |
| diglyme | CH₂ | 3.53 | m |
| 18-crown-6 | CH₂ | 3.51 | s |
| ethylene glycol | CH₂ | 3.51 | s |
| diglyme | CH₂ | 3.45 | m |
| DME | CH₂ | 3.45 | s |
| diethyl ether | CH₂ | 3.42 | q, 7 |
| diglyme | OCH₃ | 3.29 | s |
| DME | CH₃ | 3.28 | s |
| methanol | CH₃ | 3.28 | s |
| dimethylformamide | CH₃ | 2.89 | s |
| dimethylformamide | CH₃ | 2.77 | s |
| pyrrolidine | CH₂(2,5) | 2.75 | m |
| HMPA | CH₃ | 2.57 | d, 9.5 |
| ethanol | OH | 2.47 | s |
| triethylamine | CH₂ | 2.45 | q, 7 |
| toluene | CH₃ | 2.33 | s |
| hexamethylbenzene | CH₃ | 2.19 | s |
| tert-butyl alcohol | OH | 2.18 | s |
| methanol | OH | 2.16 | s |
| water | OH | 2.13 | s |
| acetone | CH₃ | 2.08 | s |
| ethyl acetate | CH₃CO | 1.97 | s |
| acetic acid | CH₃ | 1.96 | s |
| solvent residual signalssolvent | — | 1.94 | — |
| tetrahydrofuran | CH₂(3,4) | 1.80 | m |
| propylene | CH₃ | 1.70 | dt, 6.4, 1.5 |
| pyrrolidine | CH₂(3,4) | 1.61 | m |
| cyclohexane | CH₂ | 1.44 | s |
| propane | CH₂ | 1.33 | sept, 7.3 |
| n-pentane | CH₂ | 1.29 | m |
| n-hexane | CH₂ | 1.28 | m |
| ethyl acetate | CH₂CH₃ | 1.20 | t, 7 |
| tert-butyl alcohol | CH₃ | 1.16 | s |
| diethyl ether | CH₃ | 1.12 | t, 7 |
| ethanol | CH₃ | 1.12 | t, 7 |
| 2-propanol | CH₃ | 1.09 | d, 6 |
| triethylamine | CH₃ | 0.96 | t, 7 |
| propane | CH₃ | 0.90 | t, 7.3 |
| n-hexane | CH₃ | 0.89 | t, 7 |
| n-pentane | CH₃ | 0.89 | t, 7 |
| ethane | CH₃ | 0.85 | s |
| methane | CH₄ | 0.20 | s |
| silicone grease | CH₃ | 0.08 | s |
| HMDSO | CH₃ | 0.07 | s |
¹³C{¹H} shifts in Acetonitrile-d₃
75 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) |
|---|---|---|
| acetone | CO | 207.43 |
| carbon disulfide | CS₂ | 193.60 |
| acetic acid | CO | 173.21 |
| ethyl acetate | CO | 171.68 |
| dimethylformamide | CH | 163.31 |
| pyridine | CH(2,6) | 150.76 |
| toluene | C(1) | 138.90 |
| pyridine | CH(4) | 136.89 |
| imidazole | CH(2) | 136.33 |
| propylene | CH | 134.78 |
| hexamethylbenzene | C | 132.61 |
| toluene | CH(2,6) | 129.94 |
| benzene | CH | 129.32 |
| toluene | CH(3,5) | 129.23 |
| pyridine | CH(3,5) | 127.76 |
| toluene | CH(4) | 126.28 |
| carbon dioxide | CO₂ | 125.89 |
| ethylene | CH₂ | 123.69 |
| imidazole | CH(4,5) | 122.78 |
| pyrrole | CH(2,5) | 118.47 |
| solvent residual signalssolvent | — | 118.26 |
| propylene | CH₂ | 116.12 |
| pyrrole | CH(3,4) | 108.31 |
| carbon tetrachloride | CCl₄ | 96.68 |
| chloroform | CH | 79.17 |
| diglyme | CH₂ | 72.63 |
| DME | CH₂ | 72.47 |
| 18-crown-6 | CH₂ | 71.22 |
| diglyme | CH₂ | 70.99 |
| tert-butyl alcohol | (CH₃)₃C | 68.74 |
| tetrahydrofuran | CH₂(2,5) | 68.33 |
| 1,4-dioxane | CH₂ | 67.72 |
| diethyl ether | CH₂ | 66.32 |
| 2-propanol | CH | 64.30 |
| ethylene glycol | CH₂ | 64.22 |
| nitromethane | CH₃ | 63.66 |
| ethyl acetate | CH₂ | 60.98 |
| diglyme | CH₃ | 58.90 |
| DME | CH₃ | 58.89 |
| ethanol | CH₂ | 57.96 |
| dichloromethane | CH₂ | 55.32 |
| methanol | CH₃ | 49.90 |
| pyrrolidine | CH₂(2,5) | 47.57 |
| triethylamine | CH₂ | 47.10 |
| 1,2-dichloroethane | CH₂ | 45.54 |
| HMPA | CH₃ | 37.10 |
| dimethylformamide | CH₃ | 36.57 |
| n-pentane | CH₂(3) | 34.89 |
| n-hexane | CH₂(3,4) | 32.36 |
| dimethylformamide | CH₃ | 31.32 |
| acetone | CH₃ | 30.91 |
| tert-butyl alcohol | (CH₃)₃C | 30.68 |
| cyclohexane | CH₂ | 27.63 |
| pyrrolidine | CH₂(3,4) | 26.34 |
| tetrahydrofuran | CH₂(3,4) | 26.27 |
| 2-propanol | CH₃ | 25.55 |
| n-hexane | CH₂(2,5) | 23.40 |
| n-pentane | CH₂(2,4) | 23.08 |
| toluene | CH₃ | 21.50 |
| ethyl acetate | CH₃CO | 21.16 |
| acetic acid | CH₃ | 20.73 |
| propylene | CH₃ | 19.48 |
| ethanol | CH₃ | 18.80 |
| hexamethylbenzene | CH₃ | 16.94 |
| propane | CH₂ | 16.91 |
| propane | CH₃ | 16.73 |
| diethyl ether | CH₃ | 15.63 |
| ethyl acetate | CH₃ | 14.54 |
| n-hexane | CH₃ | 14.43 |
| n-pentane | CH₃ | 14.37 |
| triethylamine | CH₃ | 12.38 |
| ethane | CH₃ | 6.99 |
| HMDSO | CH₃ | 2.07 |
| solvent residual signalssolvent | — | 1.32 |
| methane | CH₄ | −4.61 |
Other solvents
Data reproduced from Fulmer et al., Organometallics 2010, 29, 2176-2179. See about for how to read these values.