NMR impurities in C₆D₅Cl
Chemical shifts of common laboratory solvents, organics and gases measured in C₆D₅Cl (deuterated chlorobenzene). Use it to identify the peaks in your spectrum that are not your compound.
- Residual solvent, ¹H
- 6.96, 6.99, 7.14 ppm
- Residual solvent, ¹³C
- 134.19, 129.26, 128.25, 125.96 ppm
- Water, ¹H
- 1.03 ppm
To search these by shift instead of reading the table, open the lookup tool for C₆D₅Cl or view them on a ppm axis.
¹H shifts in C₆D₅Cl
75 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) | Mult. |
|---|---|---|---|
| pyrrole | NH | 8.61 | br t |
| pyridine | CH(2,6) | 8.51 | m |
| dimethylformamide | CH | 7.73 | s |
| imidazole | CH(2) | 7.53 | s |
| pyridine | CH(4) | 7.25 | m |
| benzene | CH | 7.20 | s |
| solvent residual signalssolvent | — | 7.14 | — |
| toluene | CH(3,5) | 7.10–7.17 | m |
| toluene | CH(2,4,6) | 7.01–7.08 | m |
| imidazole | CH(4,5) | 7.01 | s |
| solvent residual signalssolvent | — | 6.99 | — |
| solvent residual signalssolvent | — | 6.96 | — |
| pyridine | CH(3,5) | 6.90 | m |
| chloroform | CH | 6.74 | s |
| pyrrole | CH(2,5) | 6.62 | m |
| pyrrole | CH(3,4) | 6.27 | m |
| propylene | CH | 5.72 | m |
| ethylene | CH₂ | 5.29 | s |
| propylene | CH₂(2) | 4.98 | dm, 17 |
| propylene | CH₂(1) | 4.91 | dm, 10 |
| dichloromethane | CH₂ | 4.77 | s |
| hydrogen | H₂ | 4.49 | s |
| ethyl acetate | CH₂CH₃ | 3.96 | q, 7 |
| 2-propanol | CH | 3.82 | sept, 6 |
| nitromethane | CH₃ | 3.59 | s |
| tetrahydrofuran | CH₂(2,5) | 3.59 | m |
| ethylene glycol | CH₂ | 3.58 | s |
| ethanol | CH₂ | 3.51 | q, 7 |
| diglyme | CH₂ | 3.49 | m |
| 1,4-dioxane | CH₂ | 3.45 | s |
| 18-crown-6 | CH₂ | 3.41 | s |
| diglyme | CH₂ | 3.37 | m |
| DME | CH₂ | 3.37 | s |
| diethyl ether | CH₂ | 3.31 | q, 7 |
| 1,2-dichloroethane | CH₂ | 3.26 | s |
| methanol | CH₃ | 3.25 | s |
| DME | CH₃ | 3.17 | s |
| diglyme | OCH₃ | 3.16 | s |
| pyrrolidine | CH₂(2,5) | 2.64 | m |
| dimethylformamide | CH₃ | 2.51 | s |
| HMPA | CH₃ | 2.47 | d, 9.5 |
| triethylamine | CH₂ | 2.39 | q, 7 |
| dimethylformamide | CH₃ | 2.30 | s |
| toluene | CH₃ | 2.16 | s |
| hexamethylbenzene | CH₃ | 2.10 | s |
| ethyl acetate | CH₃CO | 1.78 | s |
| acetone | CH₃ | 1.77 | s |
| acetic acid | CH₃ | 1.76 | s |
| propylene | CH₃ | 1.58 | dt, 6.4, 1.5 |
| tetrahydrofuran | CH₂(3,4) | 1.55 | m |
| pyrrolidine | CH₂(3,4) | 1.43 | m |
| ethanol | OH | 1.39 | s |
| cyclohexane | CH₂ | 1.37 | s |
| H grease | CH₂ | 1.30 | br s |
| methanol | OH | 1.30 | s |
| tert-butyl alcohol | OH | 1.30 | s |
| propane | CH₂ | 1.26 | sept, 7.3 |
| n-pentane | CH₂ | 1.23 | m |
| acetonitrile | CH₃ | 1.21 | s |
| n-hexane | CH₂ | 1.19 | m |
| tert-butyl alcohol | CH₃ | 1.12 | s |
| diethyl ether | CH₃ | 1.10 | t, 7 |
| ethanol | CH₃ | 1.06 | t, 7 |
| 2-propanol | CH₃ | 1.04 | d, 6 |
| ethyl acetate | CH₂CH₃ | 1.04 | t, 7 |
| water | OH | 1.03 | s |
| triethylamine | CH₃ | 0.93 | t, 7 |
| H grease | CH₃ | 0.86–0.92 | m |
| n-hexane | CH₃ | 0.85 | t, 7 |
| n-pentane | CH₃ | 0.84 | t, 7 |
| propane | CH₃ | 0.84 | t, 7.3 |
| ethane | CH₃ | 0.79 | s |
| methane | CH₄ | 0.15 | s |
| silicone grease | CH₃ | 0.14 | s |
| HMDSO | CH₃ | 0.10 | s |
¹³C{¹H} shifts in C₆D₅Cl
81 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) |
|---|---|---|
| acetone | CO | 204.83 |
| carbon disulfide | CS₂ | 192.49 |
| acetic acid | CO | 175.67 |
| ethyl acetate | CO | 170.20 |
| dimethylformamide | CH | 162.01 |
| pyridine | CH(2,6) | 149.93 |
| toluene | C(1) | 137.65 |
| imidazole | CH(2) | 135.50 |
| pyridine | CH(4) | 135.32 |
| solvent residual signalssolvent | — | 134.19 |
| propylene | CH | 133.57 |
| hexamethylbenzene | C | 131.54 |
| solvent residual signalssolvent | — | 129.26 |
| toluene | CH(2,6) | 129.12 |
| benzene | CH | 128.38 |
| toluene | CH(3,5) | 128.31 |
| solvent residual signalssolvent | — | 128.25 |
| carbon dioxide | CO₂ | 126.08 |
| solvent residual signalssolvent | — | 125.96 |
| toluene | CH(4) | 125.43 |
| pyridine | CH(3,5) | 123.49 |
| ethylene | CH₂ | 122.95 |
| imidazole | CH(4,5) | 121.96 |
| pyrrole | CH(2,5) | 117.65 |
| acetonitrile | CN | 115.93 |
| propylene | CH₂ | 115.86 |
| pyrrole | CH(3,4) | 108.03 |
| carbon tetrachloride | CCl₄ | 96.38 |
| chloroform | CH | 77.67 |
| diglyme | CH₂ | 72.07 |
| DME | CH₂ | 71.81 |
| diglyme | CH₂ | 70.56 |
| 18-crown-6 | CH₂ | 70.55 |
| tert-butyl alcohol | (CH₃)₃C | 68.19 |
| tetrahydrofuran | CH₂(2,5) | 67.64 |
| 1,4-dioxane | CH₂ | 66.95 |
| diethyl ether | CH₂ | 65.79 |
| 2-propanol | CH | 64.18 |
| ethylene glycol | CH₂ | 64.03 |
| nitromethane | CH₃ | 61.68 |
| ethyl acetate | CH₂ | 60.06 |
| diglyme | CH₃ | 58.42 |
| DME | CH₃ | 58.31 |
| ethanol | CH₂ | 57.63 |
| dichloromethane | CH₂ | 53.54 |
| methanol | CH₃ | 49.66 |
| pyrrolidine | CH₂(2,5) | 46.75 |
| triethylamine | CH₂ | 46.36 |
| 1,2-dichloroethane | CH₂ | 43.60 |
| HMPA | CH₃ | 36.64 |
| dimethylformamide | CH₃ | 35.45 |
| n-pentane | CH₂(3) | 34.26 |
| n-hexane | CH₂(3,4) | 31.77 |
| tert-butyl alcohol | (CH₃)₃C | 31.13 |
| dimethylformamide | CH₃ | 30.71 |
| acetone | CH₃ | 30.12 |
| H grease | CH₂ | 30.11 |
| cyclohexane | CH₂ | 26.99 |
| tetrahydrofuran | CH₂(3,4) | 25.68 |
| pyrrolidine | CH₂(3,4) | 25.59 |
| 2-propanol | CH₃ | 25.14 |
| n-hexane | CH₂(2,5) | 22.86 |
| n-pentane | CH₂(2,4) | 22.54 |
| toluene | CH₃ | 21.23 |
| ethyl acetate | CH₃CO | 20.50 |
| acetic acid | CH₃ | 20.40 |
| propylene | CH₃ | 19.32 |
| ethanol | CH₃ | 18.55 |
| hexamethylbenzene | CH₃ | 16.68 |
| propane | CH₃ | 16.56 |
| propane | CH₂ | 16.48 |
| diethyl ether | CH₃ | 15.35 |
| n-hexane | CH₃ | 14.18 |
| n-pentane | CH₃ | 14.10 |
| ethyl acetate | CH₃ | 14.07 |
| triethylamine | CH₃ | 11.87 |
| ethane | CH₃ | 6.91 |
| HMDSO | CH₃ | 1.92 |
| silicone grease | CH₃ | 1.09 |
| acetonitrile | CH₃ | 0.63 |
| methane | CH₄ | −4.33 |
Other solvents
Data reproduced from Fulmer et al., Organometallics 2010, 29, 2176-2179. See about for how to read these values.