NMR impurities in acetone-d₆
Common impurity peaks observed in Acetone-d₆ (solvent residual ¹H: 2.05 (quint); ¹³C: 29.84 / 206.26). Full solvent residual table: NMR solvent residual peaks.
Trace solvents, drying agents, and workup residues often appear as extra signals beside your compound. The tables below list typical ¹H chemical shifts (δ, ppm) reported for common impurities in each deuterated solvent. Values are taken from the Gottlieb (1997) and Fulmer (2010) compilations (DOI 10.1021/jo971176v, 10.1021/om100106e). Shifts drift slightly with temperature, concentration, and water content—compare nearby runs on the same instrument when assigning peaks.
To reduce impurity signals: use fresh solvent, avoid silicone grease near the NMR tube, dry glassware, and remove volatile solvents (EtOAc, DCM, ether, THF) on a rotary evaporator before dissolving the sample. Residual water appears at solvent-dependent chemical shifts; see the water-in-solvents table on the solvent residual peaks page.
| Impurity | ¹H peaks (ppm) |
|---|---|
| Solvent residual | 2.05 |
| H₂O / HOD | 2.84 |
| CH₂Cl₂ | 5.63 |
| CHCl₃ | 8.02 |
| MeOH | 3.31 |
| EtOH | 3.57 / 1.12 |
| acetone | 2.05 (overlaps solvent) |
| MeCN | 2.05 |
| EtOAc | 4.05 / 1.97 / 1.20 |
| Et₂O | 3.41 / 1.11 |
| THF | 3.63 / 1.78 |
| DMF | 7.96 / 2.94 / 2.78 |
| DMSO | 2.52 |
| acetic acid | 1.96 |
| n-hexane / grease | 1.29 / 0.88 |
| silicone grease | 0.08 |
| TMS | 0.00 |
References & data sources
- 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).