Complete molecular confidence (CMC) is a concept for a fully-integrated NMR/LC-MS based solution optimally complemented by X-ray spectroscopy, supporting molecular formulae determination and automated structure verification for small molecules and natural products. This is of particular benefit to synthetic chemists who are constantly seeking ways to simplify how they work. Doing so can allow them to maximise their ability to innovate, whether through designing new compounds, identifying reaction pathways, optimising reaction conditions, or synthesising compounds.
CMC assists the analysis of data combined from the information-rich spectroscopic techniques and will output the molecular profile in the form of a compact report delivering a probability for the verification of the proposed molecular structure as well as approximate purity information and quantity of the sample. CMC-assist offers a streamlined way to move from acquired data to spectrum analysis to structure verification, giving the chemist a clear set of stop/go checkpoints based on a spectra’s consistency or inconsistency with a given structure.