Visit our booth to learn more about the ACD/Labs Spectrus Platform and attend our oral presentation.
Presentation
Computer Assisted Structure Elucidation (CASE) Workflows, Problems and Capabilities
Gerd Rheinwald, Team Leader - Senior Application Scientist, ACD/Labs
Gerd Rheinwald [a]
[a] Advanced Chemistry Development Germany GmbH, Hahnstraße 70, D-60528 Frankfurt
The elucidation of structures from NMR spectra can be quite challenging and time consuming depending on the spectra and structural information available. New workflows that interface with databases such as PubChem and the addition of chemical expertise can reduce the time required to elucidate structures from hours to seconds.
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