Orange NMR 4+

Name: Orange NMR
Rating: 4.6 (10 reviews)
Author: Kirill Blinov

Kirill Blinov

Designed for iPad

- 4.6 • 10 Ratings

- Free
- Offers In-App Purchases

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.

- 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

Aug 9, 2016

Version 2.4

This app has been updated by Apple to display the Apple Watch app icon.

More accurate 3J H-H couplings prediction.

4.6 out of 5

10 Ratings

Phenomenal

Hands down the most amazing app I have purchased in 2018. Here I am learning spectroscopy in OChem and I stumbled upon this mesmerizing app. Not only can I now go to sleep with ease, but now I can maybe not fail organic chemistry. Thank you so much to the developers for making a positive impact on my life. Best,
-a struggling college student

Impressive

This is an outstanding teaching tool
Very impressive

Easy to use

Easy to use. The molecules I put in gave the correct results.

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.