Automated structure verification of small molecules libraries using 1D and 2D NMR techniques.

Abstract

The purity control and the structure verification of compound collections from automated synthesis and combinatorial chemistry play an essential role in the success of medicinal chemistry programs. High performance liquid chromatography (HPLC), mass spectrometry (MS), and liquid chromatographymass spectrometry (LC-MS) techniques are generally accepted as the most appropriate means of characterization (,). While these analytical methods are fast and easy to automate, they do not provide sufficient structural and quantitative data about the desired products.