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9-(5-O-BENZOYL-2,3-DIDEOXY-3-C-TRIFLUOROMETHYL-BETA-D-ERYTHRO-PENTOFURANOSYL)-ADENINE
SpectraBase Compound ID EdpEkVv9rsa
InChI InChI=1S/C18H16F3N5O3/c19-18(20,21)11-6-13(26-9-25-14-15(22)23-8-24-16(14)26)29-12(11)7-28-17(27)10-4-2-1-3-5-10/h1-5,8-9,11-13H,6-7H2,(H2,22,23,24)/t11-,12+,13+/m1/s1
InChIKey QQRGXDRMZIJWPV-AGIUHOORSA-N
Mol Weight 407.35 g/mol
Molecular Formula C18H16F3N5O3
Exact Mass 407.120524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8zK8K7VhK2
Name 9-(5-O-BENZOYL-2,3-DIDEOXY-3-C-TRIFLUOROMETHYL-BETA-D-ERYTHRO-PENTOFURANOSYL)-ADENINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16F3N5O3
InChI InChI=1S/C18H16F3N5O3/c19-18(20,21)11-6-13(26-9-25-14-15(22)23-8-24-16(14)26)29-12(11)7-28-17(27)10-4-2-1-3-5-10/h1-5,8-9,11-13H,6-7H2,(H2,22,23,24)/t11-,12+,13+/m1/s1
InChIKey QQRGXDRMZIJWPV-AGIUHOORSA-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 407.352 g/mol
Solvent DMSO-D6
Source File Reference UWSI24311