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Key Details of 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...
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  • There have been 6 updates
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Developer’s Description

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...
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


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Full Specifications

GENERAL
Release
Latest update
Version
2.3
OPERATING SYSTEMS
Platform
iOS
Operating System
iOS 12.1.2
Additional Requirements
Compatible with: iphone3gs, iphone3gs, ipadwifi, ipadwifi, ipad3g, ipad3g, ipodtouchthirdgen, ipodtouchthirdgen, iphone4, iphone4, ipodtouchfourthgen, ipodtouchfourthgen, ipad2wifi, ipad2wifi, ipad23g, ipad23g, iphone4s, iphone4s, ipadthirdgen, ipadthirdgen, ipadthirdgen4g, ipadthirdgen4g, iphone5, iphone5, ipodtouchfifthgen, ipodtouchfifthgen, ipadfourthgen, ipadfourthgen, ipadfourthgen4g, ipadfourthgen4g, ipadmini, ipadmini, ipadmini4g, ipadmini4g
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Total Downloads
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