Orange NMR
iOS app by Kirill Blinov. Education · Kirill Blinov
- Store rating
- 4.56 / 5
- Store rating count
- 9
- Download price
- Free to download
- In-app purchases
- Unknown
- Version
- 2.4
- Listing last refreshed
- 2026-09-13
View the original store listing
Store description excerpt
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
Review coverage
AppRill has captured 0 reviews for this app. This is a collected sample, separate from the store rating count. Latest review capture: Not captured yet.
Recent captured chart positions
No chart positions have been captured for this app yet.
Chart position, rating count and review coverage do not establish downloads, revenue or profit. Understand the differences.