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Version
2.4
Size
17 Mb
Updated
2 months ago
Released
28 Jul 2013
Screenshots
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 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
Estimates
Availability
Devices
iPhone3GS
iPadWifi
iPad3G
iPhone4
iPodTouchThirdGen
iPodTouchFourthGen
iPad2Wifi
iPad23G
iPhone4S
iPadThirdGen
iPadThirdGen4G
iPhone5
iPodTouchFifthGen
iPadFourthGen
iPadFourthGen4G
iPadMini
iPadMini4G
iPhone5c
iPhone5s
iPadAir
iPadAirCellular
iPadMiniRetina
iPadMiniRetinaCellular
iPhone6
iPhone6Plus
iPadAir2
iPadAir2Cellular
iPadMini3
iPadMini3Cellular
iPodTouchSixthGen
iPhone6s
iPhone6sPlus
iPadMini4
iPadMini4Cellular
iPadPro
iPadProCellular
iPadPro97
iPadPro97Cellular
iPhoneSE
iPhone7
iPhone7Plus
iPad611
iPad612
iPad71
iPad72
iPad73
iPad74
iPhone8
iPhone8Plus
iPhoneX
iPad75
iPad76
iPhoneXS
iPhoneXSMax
iPhoneXR
iPad812
iPad834
iPad856
iPad878
iPadMini5
iPadMini5Cellular
iPadAir3
iPadAir3Cellular
iPodTouchSeventhGen
iPhone11
iPhone11Pro
iPadSeventhGen
iPadSeventhGenCellular
iPhone11ProMax
iPhoneSESecondGen
iPadProSecondGen
iPadProSecondGenCellular
iPadProFourthGen
iPadProFourthGenCellular
iPhone12Mini
iPhone12
iPhone12Pro
iPhone12ProMax
iPadAir4
iPadAir4Cellular
iPadEighthGen
iPadEighthGenCellular
iPadProThirdGen
iPadProThirdGenCellular
iPadProFifthGen
iPadProFifthGenCellular
iPhone13Pro
iPhone13ProMax
iPhone13Mini
iPhone13
iPadMiniSixthGen
iPadMiniSixthGenCellular
iPadNinthGen
iPadNinthGenCellular
iPhoneSEThirdGen
iPadAirFifthGen
iPadAirFifthGenCellular
iPhone14
iPhone14Plus
iPhone14Pro
iPhone14ProMax
iPadTenthGen
iPadTenthGenCellular
iPadPro11FourthGen
iPadPro11FourthGenCellular
iPadProSixthGen
iPadProSixthGenCellular
Pricing by country
| Country | Price |
|---|---|
| Canada | free |
| China | free |
| France | free |
| Germany | free |
| Italy | free |
| Netherlands | free |
| Portugal | free |
| Spain | free |
| Poland | free |
| UK | free |
| India | free |
| Japan | free |
| Korea, Republic Of | free |
| Poland | free |
| Russia | free |
| Turkey | free |
| USA | free |
| Korea, Republic Of | free |
| Ukraine | free |
