Features & Capabilities

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

User Growth & Download Statistics

App
By:
Kirill Blinov
Rating:
4.60
(9)
Version:
2.4 Last updated: 2016-08-09
Version code:
841435654
Creation date:
2013-07-28
Compatible devices:
Size:
17.11MB
URLs:
Website ,Privacy policy
Full description:
See detailed description
Source:
Apple Apps Store
Data ingested on:
2026-06-08
Compare stats and ranking:

Contact the developer

Chrome-Stats does not own this Apple app. Please use these information below to contact the Apple app developer.
Developed by:
Kirill Blinov
Apple Apps Store
https://apps.apple.com/us/app/orange-nmr/id662859811
Website:
http://www.moleculeapps.com/NMRPrediction.html

User Reviews

This is an outstanding teaching tool Very impressive
by mw*****, 2022-04-23

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
by Am*****, 2018-12-07

App is initially free, but the payment is disappointing. Would be a 5-star app if it let you use more complex molecules for free. Still kind of impressive to have this on iOS though.
by De*****, 2016-02-11
View all user reviews ›

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