Orange NMR 4+
Kirill Blinov
-
- Free
- Offers In-App Purchases
Screenshots
Description
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
What’s New
Version 2.4
More accurate 3J H-H couplings prediction.
App Privacy
The developer, Kirill Blinov, has not provided details about its privacy practices and handling of data to Apple.
No Details Provided
The developer will be required to provide privacy details when they submit their next app update.
Information
- Provider
- Kirill Blinov
- Size
- 13.1 MB
- Category
- Education
- Compatibility
-
- Mac
- Requires macOS 10.7 or later.
- Languages
-
English
- Age Rating
- 4+
- Copyright
- © Molecule Apps 2014-2016
- Price
- Free
- In-App Purchases
-
- ¹H NMR Prediction €229.99
- 2 NMR Predictions €0.99
- 5 NMR Predictions €1.99
- 10 NMR Predictions €2.99
- ¹³C NMR Prediction €229.99