Screenshots

Description

App to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm (RMSD=3.4 ppm).

- Instantly re-calculate spectrum while changing structure;
- Predicted spectra stored in iCloud and synchronised among all iOS devices and Mac version (itunes.apple.com/app/13c-nmr/id660721455)
- 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 2.4

More accurate 3J H-H couplings prediction.

Ratings and Reviews

5.0 out of 5
1 Rating

1 Rating

Information

Seller
Kirill Blinov
Size
17.9 MB
Category
Education
Compatibility

Requires iOS 5.1.1 or later. Compatible with iPhone, iPad, and iPod touch.

Languages

English

Age Rating
Rated 4+
Copyright
© Molecule Apps 2013-2016
Price
$99.99
In-App Purchases
  1. ¹H NMR Prediction $99.99
  2. 2 NMR Predictions $0.99
  3. 5 NMR Predictions $1.99

Supports

  • Family Sharing

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

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