Screenshots

Description

App to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. 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).
The number of heavy atoms in structure to predict for free is restricted to 12 atoms. This restriction can be removed by purchasing additional licenses.

- 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/orange-nmr/id680184249);
- 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
5 Ratings
5 Ratings
Aman1357 ,

Phenomenal

Hands down the most amazing app I have purchased in 2018. Here I am learning spectroscopy in OChem and I stumbled upon this mesmerizing app. Not only can I now go to sleep with ease, but now I can maybe not fail organic chemistry. Thank you so much to the developers for making a positive impact on my life. Best,
-a struggling college student

Deliathin ,

About What you'd expect

App is initially free, but the payment is disappointing. Would be a 5-star app if it let you use more complex molecules for free.
Still kind of impressive to have this on iOS though.

Tali_B ,

Easy to use

Easy to use. The molecules I put in gave the correct results.

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
Free
In-App Purchases
  1. 10 NMR Predictions $2.99
  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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