Senaste versionen
2.4 Säkert att installera
2.4 Säkert att installera
App for predicting 13C and 1H NMR spectra allows users to visualize the spectrum by inputting a structure, with an algorithm offering an accuracy of approximately 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm, respectively). The free version is limited to predicting structures with up to 12 heavy atoms, with the option to lift this constraint by purchasing additional licenses.
- Real-time recalculations of the spectrum when modifying the structure
- Predicted spectra are saved in iCloud for seamless synchronization across all iOS devices and the Mac version available at itunes.apple.com/app/orange-nmr/id680184249
- Emailing of a PDF report
- Zoom functionality available for both the spectrum and structure, particularly beneficial for iPhone users
- Capability to display chemical shift values directly on the structure
- Intuitive and uncluttered interface
The predictive algorithm was developed by K. A. Blinov, E. D. Smurnyy, T. S. Churanova, M. E. Elyashberg, and A. J. Williams as outlined in Chemometrics and Intelligent Laboratory Systems 2009, Volume 97, page 91.
Översikt
Orange NMR är en Freeware programvara i den kategorin Utbildning utvecklats av Kirill Blinov.
Den senaste versionen av Orange NMR är 2.4, släppt på 2024-06-05. Det lades ursprungligen till vår databas på 2024-06-05.
Orange NMR körs på följande operativsystem: iOS.
Användare av Orange NMR gav det betyget 5 av 5 stjärnor.
Screenshots (Klicka för större)
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