NMR impurities in CDCl₃
Chemical shifts of common laboratory solvents, organics and gases measured in CDCl₃ (deuterated chloroform). Use it to identify the peaks in your spectrum that are not your compound.
- Residual solvent, ¹H
- 7.26 ppm
- Residual solvent, ¹³C
- 77.16 ppm
- Water, ¹H
- 1.56 ppm
To search these by shift instead of reading the table, open the lookup tool for CDCl₃ or view them on a ppm axis.
¹H shifts in CDCl₃
71 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) | Mult. |
|---|---|---|---|
| pyridine | CH(2,6) | 8.62 | m |
| pyrrole | NH | 8.40 | br t |
| dimethylformamide | CH | 8.02 | s |
| pyridine | CH(4) | 7.68 | m |
| imidazole | CH(2) | 7.67 | s |
| benzene | CH | 7.36 | s |
| pyridine | CH(3,5) | 7.29 | m |
| solvent residual signalssolvent | — | 7.26 | — |
| toluene | CH(3,5) | 7.25 | m |
| toluene | CH(2,4,6) | 7.17 | m |
| imidazole | CH(4,5) | 7.10 | s |
| pyrrole | CH(2,5) | 6.83 | m |
| pyrrole | CH(3,4) | 6.26 | m |
| propylene | CH | 5.83 | m |
| ethylene | CH₂ | 5.40 | s |
| dichloromethane | CH₂ | 5.30 | s |
| propylene | CH₂(2) | 5.03 | dm, 17 |
| propylene | CH₂(1) | 4.94 | dm, 10 |
| hydrogen | H₂ | 4.62 | s |
| nitromethane | CH₃ | 4.33 | s |
| ethyl acetate | CH₂CH₃ | 4.12 | q, 7 |
| 2-propanol | CH | 4.04 | sept, 6 |
| ethylene glycol | CH₂ | 3.76 | s |
| tetrahydrofuran | CH₂(2,5) | 3.76 | m |
| 1,2-dichloroethane | CH₂ | 3.73 | s |
| ethanol | CH₂ | 3.72 | q, 7 |
| 1,4-dioxane | CH₂ | 3.71 | s |
| 18-crown-6 | CH₂ | 3.67 | s |
| diglyme | CH₂ | 3.65 | m |
| diglyme | CH₂ | 3.57 | m |
| DME | CH₂ | 3.55 | s |
| methanol | CH₃ | 3.49 | s |
| diethyl ether | CH₂ | 3.48 | q, 7 |
| DME | CH₃ | 3.40 | s |
| diglyme | OCH₃ | 3.39 | s |
| dimethylformamide | CH₃ | 2.96 | s |
| dimethylformamide | CH₃ | 2.88 | s |
| pyrrolidine | CH₂(2,5) | 2.87 | m |
| HMPA | CH₃ | 2.65 | d, 9.5 |
| triethylamine | CH₂ | 2.53 | q, 7 |
| toluene | CH₃ | 2.36 | s |
| hexamethylbenzene | CH₃ | 2.24 | s |
| acetone | CH₃ | 2.17 | s |
| acetic acid | CH₃ | 2.10 | s |
| acetonitrile | CH₃ | 2.10 | s |
| ethyl acetate | CH₃CO | 2.05 | s |
| tetrahydrofuran | CH₂(3,4) | 1.85 | m |
| propylene | CH₃ | 1.73 | dt, 6.4, 1.5 |
| pyrrolidine | CH₂(3,4) | 1.68 | m |
| water | OH | 1.56 | s |
| cyclohexane | CH₂ | 1.43 | s |
| ethanol | OH | 1.32 | s |
| propane | CH₂ | 1.32 | sept, 7.3 |
| tert-butyl alcohol | CH₃ | 1.28 | s |
| n-pentane | CH₂ | 1.27 | m |
| ethyl acetate | CH₂CH₃ | 1.26 | t, 7 |
| n-hexane | CH₂ | 1.26 | m |
| ethanol | CH₃ | 1.25 | t, 7 |
| H grease | CH₂ | 1.25 | br s |
| 2-propanol | CH₃ | 1.22 | d, 6 |
| diethyl ether | CH₃ | 1.21 | t, 7 |
| methanol | OH | 1.09 | s |
| triethylamine | CH₃ | 1.03 | t, 7 |
| propane | CH₃ | 0.90 | t, 7.3 |
| n-hexane | CH₃ | 0.88 | t, 7 |
| n-pentane | CH₃ | 0.88 | t, 7 |
| ethane | CH₃ | 0.87 | s |
| H grease | CH₃ | 0.84–0.87 | m |
| methane | CH₄ | 0.22 | s |
| HMDSO | CH₃ | 0.07 | s |
| silicone grease | CH₃ | 0.07 | s |
¹³C{¹H} shifts in CDCl₃
77 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) |
|---|---|---|
| acetone | CO | 207.07 |
| carbon disulfide | CS₂ | 192.83 |
| acetic acid | CO | 175.99 |
| ethyl acetate | CO | 171.36 |
| dimethylformamide | CH | 162.62 |
| pyridine | CH(2,6) | 149.90 |
| toluene | C(1) | 137.89 |
| pyridine | CH(4) | 135.96 |
| imidazole | CH(2) | 135.38 |
| propylene | CH | 133.91 |
| hexamethylbenzene | C | 132.21 |
| toluene | CH(2,6) | 129.07 |
| benzene | CH | 128.37 |
| toluene | CH(3,5) | 128.26 |
| toluene | CH(4) | 125.33 |
| carbon dioxide | CO₂ | 124.99 |
| pyridine | CH(3,5) | 123.75 |
| ethylene | CH₂ | 123.13 |
| imidazole | CH(4,5) | 122.00 |
| pyrrole | CH(2,5) | 117.77 |
| acetonitrile | CN | 116.43 |
| propylene | CH₂ | 115.74 |
| pyrrole | CH(3,4) | 107.98 |
| carbon tetrachloride | CCl₄ | 96.34 |
| solvent residual signalssolvent | — | 77.16 |
| diglyme | CH₂ | 71.90 |
| DME | CH₂ | 71.84 |
| 18-crown-6 | CH₂ | 70.55 |
| diglyme | CH₂ | 70.51 |
| tert-butyl alcohol | (CH₃)₃C | 69.15 |
| tetrahydrofuran | CH₂(2,5) | 67.97 |
| 1,4-dioxane | CH₂ | 67.14 |
| diethyl ether | CH₂ | 65.91 |
| 2-propanol | CH | 64.50 |
| ethylene glycol | CH₂ | 63.79 |
| nitromethane | CH₃ | 62.50 |
| ethyl acetate | CH₂ | 60.49 |
| DME | CH₃ | 59.08 |
| diglyme | CH₃ | 59.01 |
| ethanol | CH₂ | 58.28 |
| dichloromethane | CH₂ | 53.52 |
| methanol | CH₃ | 50.41 |
| pyrrolidine | CH₂(2,5) | 46.93 |
| triethylamine | CH₂ | 46.25 |
| 1,2-dichloroethane | CH₂ | 43.50 |
| HMPA | CH₃ | 36.87 |
| dimethylformamide | CH₃ | 36.50 |
| n-pentane | CH₂(3) | 34.16 |
| n-hexane | CH₂(3,4) | 31.64 |
| dimethylformamide | CH₃ | 31.45 |
| tert-butyl alcohol | (CH₃)₃C | 31.25 |
| acetone | CH₃ | 30.92 |
| H grease | CH₂ | 29.71 |
| cyclohexane | CH₂ | 26.94 |
| tetrahydrofuran | CH₂(3,4) | 25.62 |
| pyrrolidine | CH₂(3,4) | 25.56 |
| 2-propanol | CH₃ | 25.14 |
| n-hexane | CH₂(2,5) | 22.70 |
| n-pentane | CH₂(2,4) | 22.38 |
| toluene | CH₃ | 21.46 |
| ethyl acetate | CH₃CO | 21.04 |
| acetic acid | CH₃ | 20.81 |
| propylene | CH₃ | 19.50 |
| ethanol | CH₃ | 18.41 |
| hexamethylbenzene | CH₃ | 16.98 |
| propane | CH₃ | 16.63 |
| propane | CH₂ | 16.37 |
| diethyl ether | CH₃ | 15.20 |
| ethyl acetate | CH₃ | 14.19 |
| n-hexane | CH₃ | 14.14 |
| n-pentane | CH₃ | 14.08 |
| triethylamine | CH₃ | 11.61 |
| ethane | CH₃ | 6.89 |
| HMDSO | CH₃ | 1.97 |
| acetonitrile | CH₃ | 1.89 |
| silicone grease | CH₃ | 1.19 |
| methane | CH₄ | −4.63 |
Other solvents
Data reproduced from Fulmer et al., Organometallics 2010, 29, 2176-2179. See about for how to read these values.