1H NMR
$99.99
2.5for iPhone, iPad
Age Rating
1H NMR 螢幕截圖
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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最新版本2.5更新日誌
Last updated on 2019年11月04日
歷史版本
Integration with the Files app added.
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Version History
2.5
2019年11月04日
Integration with the Files app added.
2.4
2015年04月23日
More accurate 3J H-H couplings prediction.
1H NMR FAQ
點擊此處瞭解如何在受限國家或地區下載1H NMR。
以下為1H NMR的最低配置要求。
iPhone
iPad
1H NMR支持English
