Screenshots

Description

App to predict 13C and 1H NMR spectra: draw a structure to see its spectra. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly).

- Instantly re-calculate spectra while changing structure;
- Predicted spectra stored in iCloud and synchronised among all iOS devices and Mac version;
- 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

What’s New

Version 2.5

Integration with the Files app added.

Ratings and Reviews

5.0 out of 5
2 Ratings

2 Ratings

App Privacy

The developer, Kirill Blinov, has not provided details about its privacy practices and handling of data to Apple. For more information, see the developer’s privacy policy.

No Details Provided

The developer will be required to provide privacy details when they submit their next app update.

Supports

  • Family Sharing

    With Family Sharing set up, up to six family members can use this app.

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