Orange NMR
Education
Only for Mac
Free · In‑App Purchases
Mac
App to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly).
The number of heavy atoms in structure to predict for free is restricted to 12 atoms. This restriction can be removed by purchasing additional licenses.
- 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/nmr-prediction/id662859811
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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More accurate 3J H-H couplings prediction.
The developer, Kirill Blinov, has not provided details about its privacy practices and handling of data to Apple. For more information, see the developer’s privacy policy.
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Information
- Seller
- Kirill Blinov
- Size
- 17 MB
- Category
- Education
- Compatibility
Requires macOS 10.7 or later.
- Mac
Requires macOS 10.7 or later.
- Languages
- English
- Age Rating
4+
- 4+
- In-App Purchases
Yes
- 10 NMR Predictions $2.99
- 2 NMR Predictions $0.99
- 5 NMR Predictions $1.99
- ¹H NMR Prediction $199.99
- ¹³C NMR Prediction $199.99
- Copyright
- © Molecule Apps 2014-2016