Simple and robust way to elucidate your structures by NMR
We have 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.
Combines latest advances in 1D and 2D NMR peak picking strategies (GSD deconvolution, filtering, smoothing), new approaches to constraint generation and handling and the latest methods for structure generation based on the constraints.
SPECIAL PROMOTION: Â All Academic Licenses have a 80% OFF.
A valid license of Mnova NMR is required to use Mnova Structure Elucidation.
Structure Elucidation
Overview
Structure Elucidation
Highlights
STRUCTURE ELUCIDATION
Workflow
Step 1
Input molecular formula and NMR data using the data browser.
Step 2
Data parsing, visualization and processing based on Mnova NMR functionality.
Step 3
Interact with connectivities graphically and on Spectral Data table.
Step 4
Fast and interactive peak picking is translated to connectivities.
Step 5
Generate potential structures (COCON structure generator).
Step 6
Rank potential structures using 13C chemical shift predictions.
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