NMR-SCAPE, version 2.0
NMR-SCAPE
Sophisticated Carbon Assignment Prediction Engine
NMR-SCAPE
- Performs spectral simulation and prediction of 13C NMR chemical shifts.
- Allows the user to sketch molecules, or import structures as *.mol files from 3rd-party Chem-sketch programs.
NMR-SCAPE displaying the predicted spectrum of Betulinic Acid
- Permits the user to add compounds to NMR-SCAPE's knowledge base in order to enhance predictions.
- Works in conjunction with NMR-SAMS to provide the best solution for automated structure elucidation.
- Performs batch predictions on multiple structures and enables the user to open the predicted spectra into SpecMan for comparison and validation with experimental data.
The predicted spectra of NMR-SCAPE's batch simulation displayed in SpecMan
Academic Origin
NMR-SCAPE (originally known as SCNMR) has been developed by the Shanghai Institue of Organic Chemistry, Chinese Academy of Sciences, P.R. China. NMRSCAPE is exclusively licensed to Spectrum Research, LLC. Title and full ownership rights to the converted/modified NMRSCAPE will remain solely with Spectrum Research, LLC.
Hardware Requirements
- Windows NT 4.x and Windows 95/98/2000.
Click here to download a free, trial version of NMR-SCAPE
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