13C NMR Spectra Prediction
Detailed App Info:
Application Description
App to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is less than 2.0 ppm (RMSD=3.5 ppm).
- Instantly re-calculate spectrum while changing structure;
- Email PDF report;
- Zoom in spectrum;
- Zoom in structure (important for iPhone users);
- Option to display chemical shift values on structure;
- Simple clean interface.
The prediction algorithm is derived by:
K. A. Blinov, E. D. Smurnyy, T. S. Churanova, M. E. Elyashberg, A. J. Williams, Chemom. Intell. Lab. Syst. 2009, 97, 91
- Instantly re-calculate spectrum while changing structure;
- Email PDF report;
- Zoom in spectrum;
- Zoom in structure (important for iPhone users);
- Option to display chemical shift values on structure;
- Simple clean interface.
The prediction algorithm is derived by:
K. A. Blinov, E. D. Smurnyy, T. S. Churanova, M. E. Elyashberg, A. J. Williams, Chemom. Intell. Lab. Syst. 2009, 97, 91
Requirements
Your mobile device must have at least 3.51 MB of space to download and install 13C NMR Spectra Prediction app. 13C NMR Spectra Prediction was updated to a new version. Purchase this version for $49.99
If you have any problems with installation or in-app purchase, found bugs, questions, comments about this application, you can visit the official website of Kirill Blinov at http://www.moleculeapps.com/apps.html.
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