August 28, 2024 – Wiley has added ten computed CNMR databases totaling over 384,000 records to its KnowItAll NMR Spectral Library collection. With this addition, the KnowItAll NMR collection now provides access to over 1.3 million spectra, making it one of the most comprehensive collections of NMR spectral data available.
“These new databases significantly enhance our ability to support researchers in their quest for accurate and efficient structure elucidation,” said Graeme Whitley, Director of Data Science Solutions at Wiley. “By integrating computed CNMR data with our empirical databases, we offer unparalleled resources for a wide range of applications.”
The new computed CNMR data collections were created by Wiley Science Solutions using a HOSE algorithm trained on Wiley's measured CNMR data. They can be used effectively for structure characterization, structure elucidation, and NMR spectrum analysis alongside the measured empirical spectral databases in the collection.
The new databases include:
Product Name | Spectra |
13C NMR – Computed Library of General Compounds I – Wiley | 76,944 |
13C NMR – Computed Library of General Compounds II – Wiley | 74,077 |
13C NMR – Computed Library of General Compounds III – Wiley | 54,274 |
13C NMR – Computed Library of General Compounds IV – Wiley | 53,650 |
13C NMR – Computed Library of General Compounds V – Wiley | 62,232 |
13C NMR – Computed Library of Geochemicals – Wiley | 176 |
13C NMR – Computed Library of Hydrocarbons – Wiley | 4,019 |
13C NMR – Computed Library of Industrial Compounds – Wiley | 10,820 |
13C NMR – Computed Library of Pesticides – Wiley | 91 |
13C NMR – Computed Library of Standards – Wiley | 9,326 |
This expanded NMR collection can be used in a wide range of applications such as pharmaceuticals, drug discovery, metabolomics, forensic science, academic research, and education, providing researchers with a robust toolset for their analytical needs.
Learn more at Wiley Science Solutions:
Find out more about the KnowItAll NMR Spectral Library collection at https://sciencesolutions.wiley.com/solutions/technique/nmr/knowitall-nmr-collection/
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