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...
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
Nov 4, 2019 Version 2.5
Integration with the Files app added.
Previous Versions
Here you can find the changelog of 1H NMR since it was posted on our website on 2016-10-03 13:51:20.
The latest version is 2.5 and it was updated on 2024-04-22 10:00:02. See below the changes in each version.
1H NMR version 2.5
Updated At: 2019-11-04
Changes: Nov 4, 2019 Version 2.5
Integration with the Files app added.
1H NMR version 2.5
Updated At: 2019-11-04
Changes: 4 Nov 2019 Version 2.5
Integration with the Files app added.
1H NMR version 2.4
Updated At: 2015-04-22
1H NMR version 2.5
Updated At: 1970-01-01
Changes: 2019年11月4日 Version 2.5
Integration with the Files app added.
1H NMR version 2.5
Updated At: 1970-01-01
Changes: 4 нояб. 2019 г. Version 2.5
Integration with the Files app added.
1H NMR version 2.5
Updated At: 1970-01-01
Changes: 4 de nov. de 2019 Version 2.5
Integration with the Files app added.
Disclaimer
Official App Store Link
We do not host 1H NMR on our servers. We did not scan it for viruses, adware, spyware or other type of malware. This app is hosted by Apple and passed their terms and conditions to be listed there. We recommend caution when installing it.
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