About All NMR
App to predict ¹³C and ¹H NMR spectra: draw a structure to see its spectra. The accuracy (Mean Average Error) of the algorithm is about 1.5 ppm for ¹³C and 0.21 ppm for ¹H (RMSE = 2.8 and 0.31 ppm correspondingly). -...
App to predict ¹³C and ¹H NMR spectra: draw a structure to see its spectra. The accuracy (Mean Average Error) of the algorithm is about 1.5 ppm for ¹³C and 0.21 ppm for ¹H (RMSE = 2.8 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 a combination of neural network and spheric codes based algorithms.
Version History New algorithm of ¹³C chemical shifts prediction added. Prediction accuracy improved to 1.5 ppm MAE and 2.8 ppm RMSE. 3.0 10/12/2025 Integration with the Files app added. 2.5 11/04/2019 More accurate 3J H-H couplings prediction. 2.4 08/07/2016 Minor improvements: 1. More accurate 4J H-H couplings prediction. 2. Peaks table improved. 2.3 05/08/2016 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. 2.2 11/23/2015 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. 2.1 10/14/2015 1.0 04/22/2015
Previous Versions
Here you can find the changelog of All NMR since it was posted on our website on 2026-01-25 03:05:14.
The latest version is 3.0 and it was updated on 2026-06-20 12:09:20. See below the changes in each version.
All NMR version 3.0
Updated At: 2026-06-20
Changes: Version History New algorithm of ¹³C chemical shifts prediction added. Prediction accuracy improved to 1.5 ppm MAE and 2.8 ppm RMSE. 3.0 10/12/2025 Integration with the Files app added. 2.5 11/04/2019 More accurate 3J H-H couplings prediction. 2.4 08/07/2016 Minor improvements:
1. More accurate 4J H-H couplings prediction.
2. Peaks table improved. 2.3 05/08/2016 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. 2.2 11/23/2015 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. 2.1 10/14/2015 1.0 04/22/2015
All NMR version 3.0
Updated At: 2025-10-12
Changes: New algorithm of ¹³C chemical shifts prediction added. Prediction accuracy improved to 1.5 ppm MAE and 2.8 ppm RMSE.
Disclaimer
Official App Store Link
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