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Version
2.5
Size
20.41 Mb
Updated
2 months ago
Released
22 Apr 2015
Screenshots
Description
App to predict 1H NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 0.21 ppm (RMSD=0.31 ppm) obtained on a large independent dataset.
- Instantly re-calculate the spectrum while changing the structure;
- 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
Pricing by country
| Country | Price |
|---|---|
| Canada | 139.99 CAD |
| China | 648 CNY |
| France | 109.99 EUR |
| Germany | 109.99 EUR |
| Italy | 109.99 EUR |
| Netherlands | 109.99 EUR |
| Portugal | 109.99 EUR |
| Spain | 109.99 EUR |
| Poland | 109.99 EUR |
| UK | 99.99 GBP |
| India | 999.99 INR |
| Japan | 999.99 JPY |
| Korea, Republic Of | 999.99 KRW |
| Poland | 479.99 PLN |
| Russia | 999.99 RUB |
| Turkey | 699.99 TRY |
| USA | 99.99 USD |
| Korea, Republic Of | 109.99 USD |
| Ukraine | 99.99 USD |
