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Orange NMR
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Orange NMR
Orange NMR

Orange NMR

Developer: Kirill Blinov
App Size: 17.9 MB
Release Date: Jul 28, 2013
Price: FREE
4
10 Ratings
Size:
17.9 MB
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iPhone
iPhone X
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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.

- Instantly re-calculate spectrum while changing structure;
- Predicted spectra stored in iCloud and synchronised among all iOS devices and Mac version (itunes.apple.com/app/orange-nmr/id680184249);
- 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
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Orange NMR 2.4 Aug 9, 2016
Aug 9, 2016 Version History
This app has been updated by Apple to display the Apple Watch app icon.More accurate 3J H-H couplings prediction.

~Kirill Blinov
More Information about: Orange NMR
Price: FREE
Version: 2.4
Compatibility: Requires iOS 5 Or Later
Size: 17.9 MB
Genre: Education
Release Date: Jul 28, 2013
Last Update: Aug 9, 2016
Content Rating: 4+
Developer: Kirill Blinov
Language: English -
All Apps & Games Developed by: Kirill Blinov
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