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App to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 2.0 ppm (RMSD=3.5 ppm).


- Draw chemical structure;
- Instantly re-calculate spectrum while changing structure;
- Exchange data with mobile devices via iCloud;

- Print report;

- Zoom in spectrum;

- Option to display chemical shift values on structure;

- Simple clean interface.

The mobile version is available in App Store: http://itunes.apple.com/app/13c-nmr-spectra-prediction/id630833417

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
App to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 2.0 ppm (RMSD=3.5 ppm).


- Draw chemical structure;
- Instantly re-calculate spectrum while changing structure;
- Exchange data with mobile devices via iCloud;

- Print report;

- Zoom in spectrum;

- Option to display chemical shift values on structure;

- Simple clean interface.

The mobile version is available in App Store: http://itunes.apple.com/app/13c-nmr-spectra-prediction/id630833417

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

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ジャンル: 教育 サイズ: 3.9 MB
販売業者: Kirill Blinov リリース: 2014/01/15
バージョン: 1.1 対応言語: 英語
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