1H NMR
$99.99
2.5for iPhone, iPad
Age Rating
1H NMR Capturas de tela
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
- 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
Show More
Novidades da Última Versão 2.5
Last updated on Nov 4, 2019
Versões Antigas
Integration with the Files app added.
Show More
Version History
2.5
Nov 4, 2019
Integration with the Files app added.
2.4
Apr 22, 2015
More accurate 3J H-H couplings prediction.
1H NMR FAQ
Clique aqui para saber como baixar 1H NMR em um país ou região restrita.
Confira a lista a seguir para ver os requisitos mínimos de 1H NMR.
iPhone
iPad
1H NMR suporta English