Recent developments in NMR methods has it made possible to acquire data that provides optimized input for automated structure elucidation and verification approaches. As in any other automated technique the quality of the output data is highly dependent on the quality of the input. Advances in NMR methods have led to better data and also to experiments that can acquire the crucial information in a targeted manner. Experiments that significantly increase the resolution of NMR experiments allow unambiguous assignments of signals and correlations that are needed by computer assisted structure elucidation and verification programs. Other experiments allow the researcher to obtain stereochemical information through the collection of information on bond angles.

Improved structure elucidation and verification results with optimized NMR data acquisition methods and strategies

255th National Meeting (2018)

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