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Conference

46th PPNMR Conference – Practical Problems of Nuclear Magnetic Resonance Spectroscopy

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

Wednesday, March 19th, 2025

11:30

Session 5: Theory (Lecture Hall B)

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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