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Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR

Michael Wenk1, Jean-Marc Nuzillard2, Christoph Steinbeck1

  • 1Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University, 07743 Jena, Germany.

Molecules (Basel, Switzerland)
|February 11, 2023
PubMed
Summary

Sherlock is a free, open-source software that aids organic chemists in determining molecular structures using nuclear magnetic resonance (NMR) data. It streamlines the complex process, enhancing the reliability and traceability of structure elucidation results.

Keywords:
NMRiumdatabasesdereplicationnatural productsnmrXivnuclear magnetic resonanceopen-sourcepyLSDstructure elucidation

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