Orange NMR
FreeOffers In-App Purchases
2.4for iPhone, iPad and more
Age Rating
Orange NMR Screenshots
About Orange NMR
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
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
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What's New in the Latest Version 2.4
Last updated on Aug 9, 2016
Old Versions
This app has been updated by Apple to display the Apple Watch app icon.
More accurate 3J H-H couplings prediction.
More accurate 3J H-H couplings prediction.
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Version History
2.4
Aug 9, 2016
This app has been updated by Apple to display the Apple Watch app icon.
More accurate 3J H-H couplings prediction.
More accurate 3J H-H couplings prediction.
2.3
May 8, 2016
Minor improvements:
1. More accurate 4J HH couplings prediction.
2. Peaks table improved.
1. More accurate 4J HH couplings prediction.
2. Peaks table improved.
2.2
Nov 21, 2015
iOS 9 multitasking supported.
Optional calculation of MF, MW, Monoisotopic Mass and Elemental Composition added.
Ability to show terminal and all carbons on structure added.
Some minor bugs fixed.
Optional calculation of MF, MW, Monoisotopic Mass and Elemental Composition added.
Ability to show terminal and all carbons on structure added.
Some minor bugs fixed.
2.1
Oct 14, 2015
Table of peaks added.
Structure drawing enhanced:
1. Touch and drag from bond to draw ring.
2. Double click inside ring to make it aromatic.
3. P and I elements added.
4. Help added.
Structure drawing enhanced:
1. Touch and drag from bond to draw ring.
2. Double click inside ring to make it aromatic.
3. P and I elements added.
4. Help added.
2.0
Apr 20, 2015
1H NMR prediction (12 atoms restriction) added.
Allow to draw structures with S, F, Cl and Br.
13C NMR prediction accuracy improved.
Allow to draw structures with S, F, Cl and Br.
13C NMR prediction accuracy improved.
1.4
Feb 5, 2014
Enhanced display of spectrum labels;
More accurate structure drawing;
More accurate structure drawing;
1.3
Dec 3, 2013
Predicted spectra are now stored in iCloud and synchronised among all iOS devices and Mac version (coming soon).
1.1
Jul 28, 2013
Orange NMR FAQ
Click here to learn how to download Orange NMR in restricted country or region.
Check the following list to see the minimum requirements of Orange NMR.
iPhone
Requires iOS 5.1.1 or later.
iPad
Requires iPadOS 5.1.1 or later.
iPod touch
Requires iOS 5.1.1 or later.
Orange NMR supports English
Orange NMR contains in-app purchases. Please check the pricing plan as below:
10 NMR Predictions
$2.99
2 NMR Predictions
$0.99
5 NMR Predictions
$1.99
1H NMR Prediction
$99.99
13C NMR Prediction
$99.99
