Application to anticipate 13C and 1H NMR spectra: attract a structure to see its range. The exactness of the calculation is around 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly).
The quantity of substantial iotas in structure to foresee 1H for nothing is limited to 12 particles. This limitation can be evacuated by obtaining extra licenses.
– Draw compound structure;
– Instantly re-compute range while evolving structure;
– Exchange information with cell phones by means of iCloud;
– Print report;
13C NMR for Mac Download. 13C NMR for Mac for Mac
13C NMR for Mac download. Download 13C NMR for Mac full version. Official 13C NMR for Mac is ready to work on iOS, MacOS and Android.
– Zoom in range;
– Option to show substance move values on structure;
13C NMR for Mac
– Simple clean interface.
The portable form is accessible in App Store: http://itunes.apple.com/application/13c-nmr-spectra-expectation/id630833417
The forecast calculation is determined by:
K. A. Blinov, E. D. Smurnyy, T. S. Churanova, M. E. Elyashberg, A. J. Williams, Chemom. Intell. Lab. Syst. 2009, 97, 91