1H NMR
$99.99
2.5for iPhone, iPad
Age Rating
1H NMR Screenshots
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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Was ist neu in der neuesten Version 2.5
Last updated on Nov 4, 2019
Alte Versionen
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
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iPhone
iPad
1H NMR unterstützt English