13C NMR of Organic Compounds, 2nd Edition
13C NMR of Organic Compounds 2014 is a collection of the highest-quality NMR spectral reference data available for reliable compound identification and to serve as the basis for accurate 13C NMR prediction.
Collected and reviewed by Wolfgang Robien, each spectrum in 13C NMR of Organic Compounds 2014 contains carefully reviewed peak assignments, with a corresponding chemical structure and specific measurement and instrument parameters, where available. Using proprietary quality assurance measures developed by the author and Wiley, this is the finest collection of 13C NMR spectra available.
Applications include synthesis confirmation and identification of both "known unknowns"(compounds that are contained in the library), as well as for the generation of predicted spectra to match against "unknown unknowns" (spectra that can be predicted by training a prediction algorithm with the library and then predicting the spectrum of a new structure of a compound that is not contained in the library). Spectral prediction is constrained only by the chemical diversity of the underlying library, the accuracy of the chemical structures and peak assignments, and the limitations of the spectral prediction algorithm.
Note fields include Name, Source, CSearch ID, Wiley ID, Citation, and Solvent.
- 13C NMR Spectra: 268,000
- Structures: 268,000
- Compounds: 228,000
- Replicate Spectra: 40,000
Available online on Wiley Online Library, with locally hosted formats available for ACD/Labs and Mestrelab software.