NMR impurities in Acetone-d₆ ((CD₃)₂CO)
Chemical shifts of common laboratory solvents, organics and gases measured in (CD₃)₂CO (deuterated acetone). Use it to identify the peaks in your spectrum that are not your compound.
- Residual solvent, ¹H
- 2.05 ppm
- Residual solvent, ¹³C
- 29.84, 206.26 ppm
- Water, ¹H
- 2.84 ppm
To search these by shift instead of reading the table, open the lookup tool for (CD₃)₂CO or view them on a ppm axis.
¹H shifts in Acetone-d₆
69 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) | Mult. |
|---|---|---|---|
| pyrrole | NH | 10.02 | br t |
| pyridine | CH(2,6) | 8.58 | m |
| chloroform | CH | 8.02 | s |
| dimethylformamide | CH | 7.96 | s |
| pyridine | CH(4) | 7.76 | m |
| imidazole | CH(2) | 7.62 | s |
| benzene | CH | 7.36 | s |
| pyridine | CH(3,5) | 7.35 | m |
| toluene | CH(2,4,6) | 7.10–7.20 | m |
| toluene | CH(3,5) | 7.10–7.20 | m |
| imidazole | CH(4,5) | 7.04 | s |
| pyrrole | CH(2,5) | 6.77 | m |
| pyrrole | CH(3,4) | 6.07 | m |
| propylene | CH | 5.81 | m |
| dichloromethane | CH₂ | 5.63 | s |
| ethylene | CH₂ | 5.38 | s |
| propylene | CH₂(2) | 5.00 | dm, 17 |
| propylene | CH₂(1) | 4.90 | dm, 10 |
| hydrogen | H₂ | 4.54 | s |
| nitromethane | CH₃ | 4.43 | s |
| ethyl acetate | CH₂CH₃ | 4.05 | q, 7 |
| 2-propanol | CH | 3.90 | sept, 6 |
| 1,2-dichloroethane | CH₂ | 3.87 | s |
| tetrahydrofuran | CH₂(2,5) | 3.63 | m |
| 1,4-dioxane | CH₂ | 3.59 | s |
| 18-crown-6 | CH₂ | 3.59 | s |
| ethanol | CH₂ | 3.57 | q, 7 |
| diglyme | CH₂ | 3.56 | m |
| diglyme | CH₂ | 3.47 | m |
| DME | CH₂ | 3.46 | s |
| diethyl ether | CH₂ | 3.41 | q, 7 |
| ethanol | OH | 3.39 | s |
| methanol | CH₃ | 3.31 | s |
| diglyme | OCH₃ | 3.28 | s |
| DME | CH₃ | 3.28 | s |
| ethylene glycol | CH₂ | 3.28 | s |
| methanol | OH | 3.12 | s |
| dimethylformamide | CH₃ | 2.94 | s |
| water | OH | 2.84 | s |
| dimethylformamide | CH₃ | 2.78 | s |
| HMPA | CH₃ | 2.59 | d, 9.5 |
| triethylamine | CH₂ | 2.45 | q, 7 |
| toluene | CH₃ | 2.32 | s |
| hexamethylbenzene | CH₃ | 2.17 | s |
| solvent residual signalssolvent | — | 2.05 | — |
| acetonitrile | CH₃ | 2.05 | s |
| ethyl acetate | CH₃CO | 1.97 | s |
| acetic acid | CH₃ | 1.96 | s |
| tetrahydrofuran | CH₂(3,4) | 1.79 | m |
| propylene | CH₃ | 1.68 | dt, 6.4, 1.5 |
| cyclohexane | CH₂ | 1.43 | s |
| propane | CH₂ | 1.31 | sept, 7.3 |
| H grease | CH₂ | 1.29 | br s |
| n-hexane | CH₂ | 1.28 | m |
| n-pentane | CH₂ | 1.27 | m |
| ethyl acetate | CH₂CH₃ | 1.20 | t, 7 |
| tert-butyl alcohol | CH₃ | 1.18 | s |
| ethanol | CH₃ | 1.12 | t, 7 |
| diethyl ether | CH₃ | 1.11 | t, 7 |
| 2-propanol | CH₃ | 1.10 | d, 6 |
| triethylamine | CH₃ | 0.96 | t, 7 |
| H grease | CH₃ | 0.90 | m |
| n-hexane | CH₃ | 0.88 | t, 7 |
| n-pentane | CH₃ | 0.88 | t, 7 |
| propane | CH₃ | 0.88 | t, 7.3 |
| ethane | CH₃ | 0.83 | s |
| methane | CH₄ | 0.17 | s |
| silicone grease | CH₃ | 0.13 | s |
| HMDSO | CH₃ | 0.07 | s |
¹³C{¹H} shifts in Acetone-d₆
74 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) |
|---|---|---|
| solvent residual signalssolvent | — | 206.26 |
| carbon disulfide | CS₂ | 193.58 |
| acetic acid | CO | 172.31 |
| ethyl acetate | CO | 170.96 |
| dimethylformamide | CH | 162.79 |
| pyridine | CH(2,6) | 150.67 |
| toluene | C(1) | 138.48 |
| pyridine | CH(4) | 136.56 |
| imidazole | CH(2) | 135.89 |
| propylene | CH | 134.34 |
| hexamethylbenzene | C | 132.22 |
| toluene | CH(2,6) | 129.76 |
| benzene | CH | 129.15 |
| toluene | CH(3,5) | 129.03 |
| toluene | CH(4) | 126.12 |
| carbon dioxide | CO₂ | 125.81 |
| pyridine | CH(3,5) | 124.57 |
| ethylene | CH₂ | 123.47 |
| imidazole | CH(4,5) | 122.31 |
| pyrrole | CH(2,5) | 117.98 |
| acetonitrile | CN | 117.60 |
| propylene | CH₂ | 116.03 |
| pyrrole | CH(3,4) | 108.04 |
| carbon tetrachloride | CCl₄ | 96.65 |
| chloroform | CH | 79.19 |
| diglyme | CH₂ | 72.63 |
| DME | CH₂ | 72.47 |
| 18-crown-6 | CH₂ | 71.25 |
| diglyme | CH₂ | 71.03 |
| tert-butyl alcohol | (CH₃)₃C | 68.13 |
| tetrahydrofuran | CH₂(2,5) | 68.07 |
| 1,4-dioxane | CH₂ | 67.60 |
| diethyl ether | CH₂ | 66.12 |
| ethylene glycol | CH₂ | 64.26 |
| 2-propanol | CH | 63.85 |
| nitromethane | CH₃ | 63.21 |
| ethyl acetate | CH₂ | 60.56 |
| diglyme | CH₃ | 58.77 |
| DME | CH₃ | 58.45 |
| ethanol | CH₂ | 57.72 |
| dichloromethane | CH₂ | 54.95 |
| methanol | CH₃ | 49.77 |
| triethylamine | CH₂ | 47.07 |
| 1,2-dichloroethane | CH₂ | 45.25 |
| HMPA | CH₃ | 37.04 |
| dimethylformamide | CH₃ | 36.15 |
| n-pentane | CH₂(3) | 34.83 |
| n-hexane | CH₂(3,4) | 32.30 |
| dimethylformamide | CH₃ | 31.03 |
| tert-butyl alcohol | (CH₃)₃C | 30.72 |
| solvent residual signalssolvent | — | 29.84 |
| cyclohexane | CH₂ | 27.51 |
| tetrahydrofuran | CH₂(3,4) | 26.15 |
| 2-propanol | CH₃ | 25.67 |
| n-hexane | CH₂(2,5) | 23.28 |
| n-pentane | CH₂(2,4) | 22.98 |
| toluene | CH₃ | 21.46 |
| ethyl acetate | CH₃CO | 20.83 |
| acetic acid | CH₃ | 20.51 |
| propylene | CH₃ | 19.42 |
| ethanol | CH₃ | 18.89 |
| hexamethylbenzene | CH₃ | 16.86 |
| propane | CH₂ | 16.78 |
| propane | CH₃ | 16.68 |
| diethyl ether | CH₃ | 15.78 |
| ethyl acetate | CH₃ | 14.50 |
| n-hexane | CH₃ | 14.34 |
| n-pentane | CH₃ | 14.29 |
| triethylamine | CH₃ | 12.49 |
| ethane | CH₃ | 6.88 |
| HMDSO | CH₃ | 2.01 |
| silicone grease | CH₃ | 1.40 |
| acetonitrile | CH₃ | 1.12 |
| methane | CH₄ | −5.33 |
Other solvents
Data reproduced from Fulmer et al., Organometallics 2010, 29, 2176-2179. See about for how to read these values.