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ACD/Labs Blog

In the second webinar of our series, we will advance to unknown structure elucidation using computer assisted structure elucidation (CASE). CASE systems have significantly contributed to de novo structural elucidation of thousands of natural and synthesized compounds. Here, we will demonstrate how by using a molecular formula, CASE can find the chemical structure that best...

Cayman Chemical regularly employs structure confirmation via NMR in its QC workflow and, with a catalogue of over 10 000 products that require QC testing, automation of this workflow represents a critical means to improve productivity. View the presentation to learn how Cayman uses ACD/Labs NMR tools to perform automated structure verification to ensure analytical...

View this webinar to learn more about how ACD/Labs tools for NMR spectrum prediction and spectral screening, combined with open NMR spectral/structural resources (PubChem, ChemSpider), can ensure effective and efficient dereplication analyses.