NMR Compound Spectrum Catalog
Browse NMR compound pages by name, formula or CAS. Open experimental and predicted 1H / 13C peak tables, spectra and data sources. Also try ¹H prediction and ¹³C prediction.
Showing 1–4 of 4 · all compounds · page 1/1
| Name | CAS | Formula | Slug |
|---|---|---|---|
| BenzeneExperimental | 71-43-2 | C6H6 | benzene |
| EthanolExperimental | 64-17-5 | C2H6O | ethanol |
| MaltolExperimental | 118-71-8 | C6H6O3 | maltol |
| MethanolExperimental | 67-56-1 | CH4O | methanol |
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).