1H NMR

$99.99

2.5for iPhone, iPad

Kirill Blinov

Developer

Nov 4, 2019

Update Date

Productivity

Category

App Store

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.

1H NMR Screenshots

iPad

iPhone

About 1H NMR

App to predict 1H NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 0.21 ppm (RMSD=0.31 ppm) obtained on a large independent dataset.

- Instantly re-calculate the spectrum while changing the structure;
- 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