¹H 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 ¹H predictor.
| Functional group / environment | Typical δ range (ppm) |
|---|---|
| Alkane CH₃ | 0.7–1.3 |
| Alkane CH₂ / CH | 1.0–1.7 |
| Allylic / benzylic CH | 1.6–2.6 |
| Acetylenic H | 2.0–3.0 |
| Ketone α-CH | 2.0–2.8 |
| Aromatic H | 6.5–8.5 |
| Vinyl H | 4.5–6.5 |
| Aldehyde H | 9.0–10.0 |
| Carboxylic acid OH | 10–13 (broad, solvent-dependent) |
| Alcohol OH | 1–5 (exchangeable, broad) |
| Amine NH | 0.5–5 (exchangeable) |
| Alkyl halide CH–X | 3.0–4.5 |
Experimental impurity shifts in deuterated solvents are tabulated separately (Gottlieb 1997; Fulmer 2010). DOI 10.1021/jo971176v, 10.1021/om100106e.
참고문헌 및 데이터 출처
- 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).