NMR solvent residual peaks
Common deuterated solvent residual chemical shifts for ¹H and ¹³C NMR. Values follow Gottlieb (J. Org. Chem. 1997) / Fulmer (Organometallics 2010) tables. See also impurity tables for CDCl₃, DMSO-d₆, and D₂O.
| Solvent | ¹H residual | ¹³C residual | Note |
|---|---|---|---|
| CDCl₃ | 7.26 (s) | 77.16 | Most common organic deuterated solvent |
| DMSO-d₆ | 2.50 (quint) | 39.52 | Common for wet samples |
| D₂O | 4.79 (s) | — | Aqueous samples; residual water/HOD overlaps the solvent peak |
| CD₃OD | 3.31 (quint) | 49.00 | MeOH residual peaks are common |
| Acetone-d₆ | 2.05 (quint) | 29.84 / 206.26 | |
| CD₃CN | 1.94 (quint) | 1.32 / 118.26 | |
| THF-d₈ | 1.72 / 3.58 (m) | 25.31 / 67.21 | |
| C₆D₆ | 7.16 (s) | 128.06 | |
| CD₂Cl₂ | 5.32 (s) | 53.84 | |
| Toluene-d₈ | 2.08 / 6.97–7.09 | 20.4 / 125–137 | |
| Pyridine-d₅ | 7.22 / 7.58 / 8.74 | 123.5 / 135.5 / 149.9 | |
| DMF-d₇ | 8.03 / 2.92 / 2.75 | 162.7 / 35.2 / 30.1 |
Literatur & Datenquellen
- 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).