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9-(5-O-BENZOYL-3-DEOXY-3-C-TRIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-ADENINE
SpectraBase Compound ID KhorKZcXxMd
InChI InChI=1S/C18H16F3N5O4/c19-18(20,21)11-10(6-29-17(28)9-4-2-1-3-5-9)30-16(13(11)27)26-8-25-12-14(22)23-7-24-15(12)26/h1-5,7-8,10-11,13,16,27H,6H2,(H2,22,23,24)/t10-,11-,13-,16-/m0/s1
InChIKey HWBLBHRJMIQLKG-GPMKHBRKSA-N
Mol Weight 423.35 g/mol
Molecular Formula C18H16F3N5O4
Exact Mass 423.115439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LoesueF1vcO
Name 9-(5-O-BENZOYL-3-DEOXY-3-C-TRIFLUOROMETHYL-BETA-D-RIBOFURANOSYL)-ADENINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16F3N5O4
InChI InChI=1S/C18H16F3N5O4/c19-18(20,21)11-10(6-29-17(28)9-4-2-1-3-5-9)30-16(13(11)27)26-8-25-12-14(22)23-7-24-15(12)26/h1-5,7-8,10-11,13,16,27H,6H2,(H2,22,23,24)/t10-,11-,13-,16-/m0/s1
InChIKey HWBLBHRJMIQLKG-GPMKHBRKSA-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 423.351 g/mol
Solvent DMSO-D6
Source File Reference UWSI24310