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NMR impurities in CD₃CN

Common impurity peaks observed in CD₃CN (solvent residual ¹H: 1.94 (quint); ¹³C: 1.32 / 118.26). 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.

Impurity¹H peaks (ppm)
Solvent residual1.94
H₂O / HOD2.13
CH₂Cl₂5.44
CHCl₃7.58
MeOH3.28
EtOH3.54 / 1.12
acetone2.08
MeCN1.94 (overlaps solvent)
EtOAc4.06 / 1.97 / 1.20
Et₂O3.42 / 1.12
THF3.64 / 1.80
DMF7.95 / 2.89 / 2.77
DMSO2.50
acetic acid1.96
n-hexane / grease1.28 / 0.89
silicone grease0.08
TMS0.00
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