1H NMR
$99.99
2.5for iPhone, iPad
Age Rating
1H NMR Captures d'écran
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
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Quoi de neuf dans la dernière version 2.5
Last updated on Nov 4, 2019
Vieilles Versions
Integration with the Files app added.
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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
Cliquez ici pour savoir comment télécharger 1H NMR dans un pays ou une région restreints.
Consultez la liste suivante pour voir les exigences minimales de 1H NMR.
iPhone
iPad
1H NMR prend en charge English