In this video, we present Bruker’s structure elucidation suite “CMC-se”. The entire structure elucidation workflow is implemented in CMC-se from data acquisition, via data analysis to structure proposal generation and validation.
Structure elucidation of small organic molecules is a key competence of nuclear magnetic resonance (NMR).
For complete and error-free structure elucidation, all possible isomers that truly match connectivity constraints identified in NMR experiments must be evaluated and acknowledged.
This is a laborious and difficult task due to the complexity of the data.
Computer assisted structure elucidation (CASE) software helps to manage the input data and generates all chemical structures matching the NMR constraints.