NMR impurities in TFE-d₃
Chemical shifts of common laboratory solvents, organics and gases measured in TFE-d₃ (deuterated trifluoroethanol). Use it to identify the peaks in your spectrum that are not your compound.
- Residual solvent, ¹H
- 5.02, 3.88 ppm
- Residual solvent, ¹³C
- 61.50, 126.28 ppm
- Water, ¹H
- 3.66 ppm
To search these by shift instead of reading the table, open the lookup tool for TFE-d₃ or view them on a ppm axis.
¹H shifts in TFE-d₃
71 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) | Mult. |
|---|---|---|---|
| pyridine | CH(2,6) | 8.45 | m |
| dimethylformamide | CH | 7.86 | s |
| pyridine | CH(4) | 7.82 | m |
| imidazole | CH(2) | 7.61 | s |
| pyridine | CH(3,5) | 7.40 | m |
| benzene | CH | 7.36 | s |
| chloroform | CH | 7.33 | s |
| toluene | CH(2,4,6) | 7.10–7.30 | m |
| toluene | CH(3,5) | 7.10–7.30 | m |
| imidazole | CH(4,5) | 7.03 | s |
| pyrrole | CH(2,5) | 6.84 | m |
| pyrrole | CH(3,4) | 6.24 | m |
| propylene | CH | 5.87 | m |
| ethylene | CH₂ | 5.40 | s |
| dichloromethane | CH₂ | 5.24 | s |
| propylene | CH₂(2) | 5.03 | dm, 17 |
| solvent residual signalssolvent | — | 5.02 | — |
| propylene | CH₂(1) | 4.93 | dm, 10 |
| hydrogen | H₂ | 4.53 | s |
| nitromethane | CH₃ | 4.28 | s |
| ethyl acetate | CH₂CH₃ | 4.14 | q, 7 |
| 2-propanol | CH | 4.05 | sept, 6 |
| solvent residual signalssolvent | — | 3.88 | — |
| tetrahydrofuran | CH₂(2,5) | 3.78 | m |
| 1,4-dioxane | CH₂ | 3.76 | s |
| ethylene glycol | CH₂ | 3.72 | s |
| 1,2-dichloroethane | CH₂ | 3.71 | s |
| ethanol | CH₂ | 3.71 | q, 7 |
| diglyme | CH₂ | 3.67 | m |
| water | OH | 3.66 | s |
| 18-crown-6 | CH₂ | 3.64 | s |
| diglyme | CH₂ | 3.62 | m |
| DME | CH₂ | 3.61 | s |
| diethyl ether | CH₂ | 3.58 | q, 7 |
| methanol | CH₃ | 3.44 | s |
| diglyme | OCH₃ | 3.41 | s |
| DME | CH₃ | 3.40 | s |
| triethylamine | CH₂ | 3.12 | q, 7 |
| pyrrolidine | CH₂(2,5) | 3.11 | m |
| dimethylformamide | CH₃ | 2.98 | s |
| dimethylformamide | CH₃ | 2.88 | s |
| HMPA | CH₃ | 2.63 | d, 9.5 |
| toluene | CH₃ | 2.33 | s |
| hexamethylbenzene | CH₃ | 2.24 | s |
| tert-butyl alcohol | OH | 2.20 | s |
| acetone | CH₃ | 2.19 | s |
| acetic acid | CH₃ | 2.06 | s |
| ethyl acetate | CH₃CO | 2.03 | s |
| acetonitrile | CH₃ | 1.95 | s |
| pyrrolidine | CH₂(3,4) | 1.93 | m |
| tetrahydrofuran | CH₂(3,4) | 1.91 | m |
| propylene | CH₃ | 1.70 | dt, 6.4, 1.5 |
| cyclohexane | CH₂ | 1.47 | s |
| H grease | CH₂ | 1.33 | br s |
| n-pentane | CH₂ | 1.33 | m |
| propane | CH₂ | 1.33 | sept, 7.3 |
| n-hexane | CH₂ | 1.31 | m |
| triethylamine | CH₃ | 1.31 | t, 7 |
| tert-butyl alcohol | CH₃ | 1.28 | s |
| ethyl acetate | CH₂CH₃ | 1.26 | t, 7 |
| ethanol | CH₃ | 1.22 | t, 7 |
| 2-propanol | CH₃ | 1.20 | d, 6 |
| diethyl ether | CH₃ | 1.20 | t, 7 |
| H grease | CH₃ | 0.88–0.94 | m |
| n-hexane | CH₃ | 0.91 | t, 7 |
| n-pentane | CH₃ | 0.90 | t, 7 |
| propane | CH₃ | 0.90 | t, 7.3 |
| ethane | CH₃ | 0.85 | s |
| methane | CH₄ | 0.18 | s |
| silicone grease | CH₃ | 0.16 | s |
| HMDSO | CH₃ | 0.08 | s |
¹³C{¹H} shifts in TFE-d₃
78 signals, ordered by chemical shift.
| Impurity | Group | δ (ppm) |
|---|---|---|
| acetone | CO | 214.98 |
| carbon disulfide | CS₂ | 196.26 |
| acetic acid | CO | 177.96 |
| ethyl acetate | CO | 175.55 |
| dimethylformamide | CH | 166.01 |
| pyridine | CH(2,6) | 149.76 |
| toluene | C(1) | 139.92 |
| pyridine | CH(4) | 139.62 |
| imidazole | CH(2) | 136.58 |
| propylene | CH | 136.00 |
| hexamethylbenzene | C | 134.04 |
| toluene | CH(2,6) | 130.58 |
| benzene | CH | 129.84 |
| toluene | CH(3,5) | 129.79 |
| carbon dioxide | CO₂ | 126.92 |
| toluene | CH(4) | 126.82 |
| solvent residual signalssolvent | — | 126.28 |
| pyridine | CH(3,5) | 126.27 |
| ethylene | CH₂ | 124.08 |
| imidazole | CH(4,5) | 122.93 |
| pyrrole | CH(2,5) | 119.61 |
| acetonitrile | CN | 118.95 |
| propylene | CH₂ | 116.38 |
| pyrrole | CH(3,4) | 108.85 |
| carbon tetrachloride | CCl₄ | 97.74 |
| chloroform | CH | 78.83 |
| diglyme | CH₂ | 73.05 |
| DME | CH₂ | 72.87 |
| tert-butyl alcohol | (CH₃)₃C | 72.35 |
| diglyme | CH₂ | 71.33 |
| 18-crown-6 | CH₂ | 70.80 |
| tetrahydrofuran | CH₂(2,5) | 69.53 |
| 1,4-dioxane | CH₂ | 68.52 |
| diethyl ether | CH₂ | 67.55 |
| 2-propanol | CH | 66.69 |
| ethylene glycol | CH₂ | 64.87 |
| nitromethane | CH₃ | 63.17 |
| ethyl acetate | CH₂ | 62.70 |
| solvent residual signalssolvent | — | 61.50 |
| ethanol | CH₂ | 59.68 |
| DME | CH₃ | 59.52 |
| diglyme | CH₃ | 59.40 |
| dichloromethane | CH₂ | 54.46 |
| methanol | CH₃ | 50.67 |
| triethylamine | CH₂ | 48.45 |
| pyrrolidine | CH₂(2,5) | 47.43 |
| 1,2-dichloroethane | CH₂ | 45.28 |
| dimethylformamide | CH₃ | 37.76 |
| HMPA | CH₃ | 37.21 |
| n-pentane | CH₂(3) | 35.76 |
| n-hexane | CH₂(3,4) | 33.17 |
| acetone | CH₃ | 32.35 |
| tert-butyl alcohol | (CH₃)₃C | 31.07 |
| dimethylformamide | CH₃ | 30.96 |
| cyclohexane | CH₂ | 28.34 |
| tetrahydrofuran | CH₂(3,4) | 26.69 |
| pyrrolidine | CH₂(3,4) | 25.73 |
| 2-propanol | CH₃ | 25.21 |
| n-hexane | CH₂(2,5) | 24.06 |
| n-pentane | CH₂(2,4) | 23.75 |
| toluene | CH₃ | 21.62 |
| ethyl acetate | CH₃CO | 21.18 |
| acetic acid | CH₃ | 20.91 |
| propylene | CH₃ | 19.63 |
| ethanol | CH₃ | 18.11 |
| propane | CH₂ | 17.46 |
| hexamethylbenzene | CH₃ | 17.04 |
| propane | CH₃ | 16.93 |
| diethyl ether | CH₃ | 15.33 |
| n-hexane | CH₃ | 14.63 |
| n-pentane | CH₃ | 14.54 |
| ethyl acetate | CH₃ | 14.36 |
| triethylamine | CH₃ | 9.51 |
| ethane | CH₃ | 7.01 |
| silicone grease | CH₃ | 2.87 |
| HMDSO | CH₃ | 2.09 |
| acetonitrile | CH₃ | 1.00 |
| methane | CH₄ | −5.88 |
Other solvents
Data reproduced from Fulmer et al., Organometallics 2010, 29, 2176-2179. See about for how to read these values.