App to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm (RMSD=3.4 ppm). - 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/13c-nmr/id660721455)- 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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