Orange NMR

Education

Free · In‑App Purchases · Designed for iPad. Not verified for macOS.

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

  • 4.6
    out of 5
    9 Ratings

This update from Apple will improve the functionality of this app. No new features are included. More accurate 3J H-H couplings prediction.

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.

    The developer has not yet indicated which accessibility features this app supports. Learn More

    Seller
    • Kirill Blinov
    Size
    • 17.9 MB
    Category
    • Education
    Compatibility
    Requires iOS 5.1.1 or later.
    • 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.
    • Mac
      Requires macOS 11.0 or later and a Mac with Apple M1 chip or later.
    • Apple Vision
      Requires visionOS 1.0 or later.
    Languages
    • English
    Age Rating
    4+
    In-App Purchases
    Yes
    • 10 NMR Predictions $2.99
    • 5 NMR Predictions $1.99
    • 2 NMR Predictions $0.99
    • 1H NMR Prediction $99.99
    • 13C NMR Prediction $99.99
    Copyright
    • © Molecule Apps 2013-2016