ChemistryAtlas Dataset
NMRShiftDB2
Spectra and analyticalNMRchemical shiftsspectra
Open database for organic structures and NMR chemical shifts, useful for NMR prediction and validation.
- NMR prediction
- structure elucidation
Category: Spectra and analytical.
Citation: Steinbeck et al., J Chem Inf Comput Sci 2003 and updates.