Wiley spectral library “1H and 13C NMR of Organic Compounds 2014″ is now integrated in Mnova DB
Mestrelab Research has now integrated the library from Wiley “1H, 13C NMR of Organic Compounds 2014″ in Mnova. This includes a collection of the highest-quality NMR spectral reference data available for reliable compound identification.
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).
Wiley Databases
13C NMR of Organic Compounds (Robien)
What does it include?
- 13C NMR Spectra: 268,000
- Structures: 268,000
- Compounds: 228,000
- Replicate Spectra: 40,000
Wiley Databases
1H NMR of Organic Compounds (Yarkov)
What does it include?
- 1H NMR Spectra: 157,000
- Structures: 157,000
- Compounds: 155,000
- Replicate Spectra: 2,000
A collection of 268,000 highest-quality NMR spectral reference data available for reliable compound identification.
Collected and reviewed by Wolfgang Robien (Univ.Prof. bei University of Vienna, Faculty of Computer Science).
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.
Largest collection of high-quality full-scan 1H NMR spectral reference data available for reliable identification. Measured on 300/500MHz instruments, the spectral library contains 157,000 full-scan high-resolution spectra.
Note fields include Name, Source, CSearch ID, Wiley ID, Citation and Solvent.
Collected and reviewed by Alexander Yarkov (Senior scientist for the Applied Spectroscopy Laboratory at the Institute of Physiologically Active Compounds at the Russian Academy of Science).
Each spectrum in 1H 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 and largest collection of 1H NMR spectra available.
Wiley Databases
