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1-N-(2,5-DI-O-ACETYL-3-DEOXY-3-(O,O-DIETHYLPHOSPHONO)-DIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-CYTOSINE
SpectraBase Compound ID BiBnJrHzEV
InChI InChI=1S/C18H26F2N3O9P/c1-5-29-33(27,30-6-2)18(19,20)14-12(9-28-10(3)24)32-16(15(14)31-11(4)25)23-8-7-13(21)22-17(23)26/h7-8,12,14-16H,5-6,9H2,1-4H3,(H2,21,22,26)/t12-,14-,15-,16-/m0/s1
InChIKey MDBWAOBQSLBXKA-TUUVXOQKSA-N
Mol Weight 497.39 g/mol
Molecular Formula C18H26F2N3O9P
Exact Mass 497.137473 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KfrUoPM4ZW1
Name 1-N-(2,5-DI-O-ACETYL-3-DEOXY-3-(O,O-DIETHYLPHOSPHONO)-DIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-CYTOSINE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26F2N3O9P
InChI InChI=1S/C18H26F2N3O9P/c1-5-29-33(27,30-6-2)18(19,20)14-12(9-28-10(3)24)32-16(15(14)31-11(4)25)23-8-7-13(21)22-17(23)26/h7-8,12,14-16H,5-6,9H2,1-4H3,(H2,21,22,26)/t12-,14-,15-,16-/m0/s1
InChIKey MDBWAOBQSLBXKA-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 UWLU47097