Orange NMR
FreeOffers In-App Purchases
2.4for Mac
Age Rating
Orange NMR Screenshots
About Orange NMR
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
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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What's New in the Latest Version 2.4
Last updated on Aug 5, 2016
Old Versions
More accurate 3J H-H couplings prediction.
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Version History
2.4
Aug 5, 2016
More accurate 3J H-H couplings prediction.
Orange NMR FAQ
Click here to learn how to download Orange NMR in restricted country or region.
Orange NMR contains in-app purchases. Please check the pricing plan as below:
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
Check the following list to see the minimum requirements of Orange NMR.
Mac
Requires macOS 10.7 or later.