13C NMR Prediction Online
Free online 13C NMR predictor. Predict carbon NMR chemical shifts from SMILES or structure, and browse experimental 13C spectra from the local library.
Ouvrir le prédicteur interactif: also see 1H NMR prediction. Browse the compound catalog.
Qu’est-ce que la prédiction RMN ?
La prédiction RMN estime les déplacements chimiques à partir de la structure moléculaire.
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).