Mestrelab Mnova Structure Elucidation software

Simple and robust way to elucidate your structures by NMR

A Computer-Assisted Structure Elucidation (CASE) system, which will take you from NMR data to structure through a simple to use and learn workflow.

Benefits:

• Intuitive and easy-to-use software program with a well defined steps workflow.
• Combines latest advances in 1D and 2D NMR peak picking strategies (GSD deconvolution, filtering, smoothing).
• High quality processing, analysis and presentation of spectra (deconvolution, peak picking, integration, multiplet analysis, etc.) with Mnova powerful engine running in the background.
• Facilitates the inference of the molecular structures on the screen, instead of on the paper. It speeds up the elucidation workflow.
• Makes structure elucidation available to non-experts users.
• New approaches to constraint generation and handling.

Features:

6-STEP WORKFLOW:

• Input molecular formula and NMR data using the data browser.
• Data parsing, visualization and processing based on Mnova NMR functionality.
• Interact with connectivities graphically and on Spectral Data table.
• Fast and interactive peak picking is translated to connectivities.
• Generate potential structures (COCON structure generator).
• Rank potential structures using 13C chemical shift predictions.

Mestrelab Research: Mnova Structure Elucidation - Features