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9-(2-O-ACETYL-5-O-BENZOYL-3-DEOXY-3-C-TRIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-ADENINE
SpectraBase Compound ID KwSO1MhEsIn
InChI InChI=1S/C20H18F3N5O5/c1-10(29)32-15-13(20(21,22)23)12(7-31-19(30)11-5-3-2-4-6-11)33-18(15)28-9-27-14-16(24)25-8-26-17(14)28/h2-6,8-9,12-13,15,18H,7H2,1H3,(H2,24,25,26)/t12-,13-,15-,18-/m0/s1
InChIKey YSFIDNKWCRUDAE-ATZCPQFDSA-N
Mol Weight 465.39 g/mol
Molecular Formula C20H18F3N5O5
Exact Mass 465.126003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJcVULC3T2W
Name 9-(2-O-ACETYL-5-O-BENZOYL-3-DEOXY-3-C-TRIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-ADENINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18F3N5O5
InChI InChI=1S/C20H18F3N5O5/c1-10(29)32-15-13(20(21,22)23)12(7-31-19(30)11-5-3-2-4-6-11)33-18(15)28-9-27-14-16(24)25-8-26-17(14)28/h2-6,8-9,12-13,15,18H,7H2,1H3,(H2,24,25,26)/t12-,13-,15-,18-/m0/s1
InChIKey YSFIDNKWCRUDAE-ATZCPQFDSA-N
Literature Reference Author F.JEANNOT,G.GOSSELIN,D.STANDRING,M.BRYANT,J.P.SOMMADOSSI,A.G .LOI,P.L.COLLA,C.MAT
Literature Reference Citation BIOORG.MED.CHEM.,10,3153(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00216-X
Molecular Weight 465.389 g/mol
Solvent DMSO-D6
Source File Reference UWSI24308