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Mnova Structure Elucidation

Mnova Structure Elucidation

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:  All Academic Licenses have a 80% OFF.

A valid license of Mnova NMR is required to use Mnova Structure Elucidation.

Save time carrying out NMR analysis of your compounds with Mnova Structure Elucidation!

Mnova Structure Elucidation
Download 45-day FREE trial now!

product_icon_download 1. Download

Download Mnova for a suitable Operating System.

product_icon_install 2. Installation

Open Mnova and go to ‘Help/Get-Install Licenses’. Select ‘Evaluate’.

product_icon_license 3. License

Fill in the form to receive your trial license via e-mail.

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Structure Elucidation

Overview

Structure Elucidation

Highlights
  • Intuitive and easy to use software program with a well defined steps workflow
  • High quality processing, analysis and presentation of spectra (deconvolution, peak picking, integration, multiplet analysis, etc.) running Mnova powerful engine 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.
  • Combines latest advances in 1D and 2D NMR peak picking strategies (GSD deconvolution, filtering, smoothing).
  • New approaches to constraint generation and handling.

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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