Mnova NMRPredict Desktop
This is Mnova NMRPredict Desktop at work
Prediction of NMR spectra from molecular structure
Prediction of 1D (1H, 13C, 15N, 19F, 31P, 17O, 29Si) and 2D spectra from molecular structure (mol file, ChemDraw, IsisDraw, ChemSketch) within Mnova Suite
Prediction of 1D (1H, 13C, 15N, 19F, 31P, 17O, 29Si) and 2D spectra from molecular structure (mol file, ChemDraw, IsisDraw, ChemSketch) within Mnova. Easily combine and compare experimental and predicted data as part of your workflow and leverage your company's unique knowledge. Make better decisions faster!
NMRPredict Desktop is a module designed for the prediction of NMR spectra from molecular structure within the Mnova interface. This module combines the experience and work of several research groups around the world, and therefore combine many years of research and experience in one single software application.
Features
- Versatile, predict all nuclei you are interested in NMRPredict Desktop allows the user to carry out predictions of 1H, 13C, 19F, 31P, 15N, 17O and 29Si spectra within the Mnova GUI, and fully integrated with the Mnova NMR plugin.
- Focused on your workflow Mnova has fast, simple to use tools to allow you to compare experimental with predicted data. Use Predict and Highlight and Predict & Compare to assist your assignment and match experimental and predicted spectra
- Simple and accessible The only input you need is a 2D molecule which you can Copy & Paste from ChemDraw, IsisDraw or ChemSketch, or which you can open from a .mol or .sdf file. Then, just select the nuclei you would like to predict.
- Flexible, powerful and accurate The plugin will allow you to predict spectra at different magnetic fields and with different solvents and is the only one capable of using full quantum mechanics for any size spin system, displaying 'real-looking' spectra
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