Orange NMR
Education
Free · In‑App Purchases · Designed for iPad
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
This app has been updated by Apple to display the Apple Watch app icon.
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 .
No Details Provided
The developer will be required to provide privacy details when they submit their next app update.
Accessibility
The developer has not yet indicated which accessibility features this app supports. Learn More
Information
- Seller
- Kirill Blinov
- Size
- 17.9 MB
- Category
- Education
- Compatibility
Requires iOS 5.1.1 or later.
- iPhone
Requires iOS 5.1.1 or later. - iPad
Requires iPadOS 5.1.1 or later. - iPod touch
Requires iOS 5.1.1 or later. - Mac
Requires macOS 11.0 or later and a Mac with Apple M1 chip or later. - Apple Vision
Requires visionOS 1.0 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 $99.99
- 13C NMR Prediction $99.99
- Copyright
- © Molecule Apps 2013-2016