Orange NMR
#287,450 of 719,896 by ratings on Apple · #23,263 of 72,290 in Education
First seen by this census 09/05/2026 — the store does not publish a creation date
Last updated 08/09/2016
Tracked since 09/05/2026
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Category: Education
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
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Growth
Change in ratings, scaled to each window from the real gap between crawls. A window needs a full period of history before it reports anything.
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History
Tracking since 09/05/2026. History accumulates as changes are observed — check back soon.