NMR impurities in D₂O
Common impurity peaks observed in D₂O (solvent residual ¹H: 4.79 (s); ¹³C: —). Full solvent residual table: NMR solvent residual peaks.
| Impurity | ¹H peaks (ppm) |
|---|---|
| Solvent residual | 4.79 |
| H₂O / HOD | 4.79 |
| MeOH | 3.34 |
| EtOH | 3.65 / 1.17 |
| acetone | 2.22 |
| MeCN | 2.06 |
| EtOAc | 4.14 / 2.07 / 1.24 |
| THF | 3.74 / 1.88 |
| DMF | 7.92 / 3.01 / 2.85 |
| DMSO | 2.71 |
| acetic acid | 2.08 |
参考文献・データ出典
- 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).