13C NMR

$199.99

2.4for iPhone

Kirill Blinov

Developer

Aug 5, 2016

Update Date

Education

Category

Age Rating

Apps in this category do not contain restricted content.

Apps in this category may contain mild or occasional cartoon, fantasy or real-life violence, as well as occasional or mild adult, sexually suggestive or horrifying content and may not be suitable for children under 9 years of age.

12+

Apps in this category may contain occasional mild indecent language, frequent or intense cartoon or real-life violence, minor or occasional adult or sexually suggestive material, and simulated gambling, and may be for children under 12 years of age.

17+

You must be at least 17 years old to access this App.

Apps in this category may contain frequent and intense offensive language; Frequent and intense cartoon, fantasy or realistic violence: frequent and intense adult, scary and sexually suggestive subjects: as well as sexual content, nudity, tobacco, alcohol and drugs, may not be suitable for children under 17 years of age.

13C NMR Screenshots

iPhone

About 13C NMR

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 1H for free is restricted to 12 atoms. This restriction can be removed by purchasing additional licenses.

- Draw chemical structure;
- Instantly re-calculate spectrum while changing structure;
- Exchange data with mobile devices via iCloud;
- Print report;
- Zoom in spectrum;
- Option to display chemical shift values on structure;
- Simple clean interface.

The mobile version is available in App Store: http://itunes.apple.com/app/13c-nmr-spectra-prediction/id630833417

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