Laatste versie
2.4 Veilig te installeren
2.4 Veilig te installeren
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.
Overzicht
Orange NMR is Freeware software in de categorie Onderwijs ontwikkeld door Kirill Blinov.
De nieuwste versie van Orange NMR is 2.4, uitgegeven op 05-06-2024. Het werd aanvankelijk toegevoegd aan onze database op 05-06-2024.
Orange NMR draait op de volgende operating systems: iOS.
Gebruikers van Orange NMR gaven het een beoordeling van 5 op 5 sterren.
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