Audience
Chemists
About NMR Predictors
Predict 1D and 2D NMR spectra from structures.
From experimental design to data interpretation, NMR predictors can significantly speed up your workflow. Use this software to:
- Predict a complete set of 1D and 2D NMR spectra, for 1H, 13C, 15N, 19F, and 31P nuclei from a chemical structure
- Calculate chemical shifts and coupling constants in seconds
- Train the algorithms with in-house data to improve accuracy for novel chemical space
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Integrations
No integrations listed.
Company Information
ACD/Labs
Founded: 1994
Canada
www.acdlabs.com/products/spectrus-platform/nmr-predictors/
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Product Details
Platforms Supported
Windows