iPhone app Orange NMR download it using MyAndroid.

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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