High resolution NMR spectroscopy offers a large number of data points that enable close peaks to be resolved. Data processing algorithms, however, have not yet been able to capitalize on this offering to achieve the highest permissible resolution.
Dr. Chen Peng (Mestrelab Research) described of one of our newest products, Mnova Structure Elucidation. Watch it now!
We have just implemented a Computer-Assisted Structure Elucidation (CASE) system, which will take you from NMR data to structure through a simple to use and learn workflow.
designed to generate IUPAC names for molecular structures, making it an invaluable tool for organic chemists.
It leverages the new enhancements in the molecular editor, allowing you to generate IUPAC names for any structure within your Mnova document.
We implemented a Computer-Assisted Structure Elucidation (CASE) system (since Mnova 12), which will take you from NMR data to structure through a simple to use and learn workflow.
As a starting point we recommend you to follow the following steps applied to this example: