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Structure Elucidation

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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.

Download Mnova for a 45-Day Free Trial on Mnova Structure Elucidation

Structure Elucidation

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.

Structure Elucidation

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.

Latest Structure Elucidation news
Webinar recorded session CASE benchtop NMr - University of Toronto

CASE: (Computer-Assisted Structure Elucidation) Studies for Benchtop NMR system | Webinar

Join us for a webinar on “CASE (Computer-Assisted Structure Elucidation) Studies for Benchtop NMR system” presented by Dr. Ronald Soong, Senior Research Associate at the Environmental NMR Center, University of Toronto Scarborough. Explore the increasing popularity of benchtop NMR systems in undergraduate laboratories and gain insights into the selection of the most suitable system for educational objectives.

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A CASE (Computer-Assisted Structure Elucidation) for Bench-Top NMR Systems in the Undergraduate Laboratory for De Novo Structure Determination: How Well Can We Do?

The recent popularity of benchtop (BT) NMR systems has prompted its applications in undergraduate laboratories around the world. Owing to their low maintenance cost, due to the lack of a superconducting magnetic core, and simple operation, these BT NMR systems can fulfill many of the learning objectives outlined in the undergraduate organic chemistry curricula.

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Structure Elucidation

Videos

Help & Resources

Guide & Manuals

Mnova Structure Elucidation - Starting guide

Videos

CASE: (Computer-Assisted Structure Elucidation) Studies for Benchtop NMR system | Webinar 2017 Workshop - Introducing Mnova Structure Elucidation using 1D and 2D NMR Mnova Structure Elucidation – Yohimbine Mnova Structure Elucidation - Ibuprofen

Publications

A CASE (Computer-Assisted Structure Elucidation) for Bench-Top NMR Systems in the Undergraduate Laboratory for De Novo Structure Determination: How Well Can We Do?
Structure Elucidation

Related Applications

Academic, Government & Industrial

Target Audience

Organic Chemists
Researchers
Analytical Chemists
Structure Elucidation

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