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1-N-(2,5-DI-O-ACETYL-3-DEOXY-3-(O,O-DIETHYLPHOSPHONOTHIO)-DIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-URACIL
SpectraBase Compound ID 3887WDVe0jJ
InChI InChI=1S/C18H25F2N2O9PS/c1-5-28-32(33,29-6-2)18(19,20)14-12(9-27-10(3)23)31-16(15(14)30-11(4)24)22-8-7-13(25)21-17(22)26/h7-8,12,14-16H,5-6,9H2,1-4H3,(H,21,25,26)/t12-,14-,15-,16-/m0/s1
InChIKey XKGPREVOSWQTEC-TUUVXOQKSA-N
Mol Weight 514.43 g/mol
Molecular Formula C18H25F2N2O9PS
Exact Mass 514.098645 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKPZZLtHcSB
Name 1-N-(2,5-DI-O-ACETYL-3-DEOXY-3-(O,O-DIETHYLPHOSPHONOTHIO)-DIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-URACIL
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25F2N2O9PS
InChI InChI=1S/C18H25F2N2O9PS/c1-5-28-32(33,29-6-2)18(19,20)14-12(9-27-10(3)23)31-16(15(14)30-11(4)24)22-8-7-13(25)21-17(22)26/h7-8,12,14-16H,5-6,9H2,1-4H3,(H,21,25,26)/t12-,14-,15-,16-/m0/s1
InChIKey XKGPREVOSWQTEC-TUUVXOQKSA-N
Literature Reference Author C.LOPIN,A.GAUTIER,G.COUHIER,S.R.PIETTRE
Literature Reference Citation J.AM.CHEM.SOC.,124,14668(2002)
Literature Reference DOI 10.1021/ja027850u
Solvent CDCl3
Source File Reference UWLU47091