NMR impurities in CDCl₃
Common impurity peaks observed in CDCl₃ (solvent residual ¹H: 7.26 (s); ¹³C: 77.16). Full solvent residual table: NMR solvent residual peaks.
| Impurity | ¹H peaks (ppm) |
|---|---|
| Solvent residual | 7.26 |
| H₂O / HOD | 1.56 |
| CH₂Cl₂ | 5.30 |
| CHCl₃ | 7.26 (overlaps solvent) |
| MeOH | 3.49 |
| EtOH | 3.72 / 1.25 |
| acetone | 2.17 |
| MeCN | 2.10 |
| EtOAc | 4.12 / 2.05 / 1.26 |
| Et₂O | 3.48 / 1.21 |
| THF | 3.76 / 1.85 |
| DMF | 8.02 / 2.96 / 2.88 |
| DMSO | 2.62 |
| acetic acid | 2.10 |
| n-hexane / grease | 1.26 / 0.88 |
| silicone grease | 0.07 |
| TMS | 0.00 |
参考文献与数据来源
- NMRShiftDB2 — open experimental NMR chemical shift database.
- Steinbeck, C.; Kuhn, S. NMRShiftDB — nmrshiftdb.nmr.uni-koeln.de
- Gottlieb, H. E.; Kotlyar, V.; Nudelman, A. NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities. J. Org. Chem. 1997, 62, 7512–7515.
- Fulmer, G. R. et al. NMR Chemical Shifts of Trace Impurities. Organometallics 2010, 29, 2176–2179.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related tools: nmrdb.org (community NMR prediction reference).