¹³C NMR chemical shift table
Approximate chemical shift ranges (δ, ppm) for common functional groups in organic molecules. Ranges are textbook guidelines; substituents, ring strain, hydrogen bonding, and solvent choice move signals within or beyond these windows. Pair this table with the solvent residual peak list and the online ¹³C predictor.
| Functional group / environment | Typical δ range (ppm) |
|---|---|
| Alkyl C | 0–50 |
| C–X (X = O, N, halogen) | 50–90 |
| Alkene / aromatic C | 100–160 |
| Nitrile C≡N | 115–130 |
| Ester / acid carbonyl | 160–185 |
| Ketone / aldehyde carbonyl | 190–220 |
Experimental impurity shifts in deuterated solvents are tabulated separately (Gottlieb 1997; Fulmer 2010). DOI 10.1021/jo971176v, 10.1021/om100106e.
Références et 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).