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9-(5-O-BENZOYL-2,3-DIDEOXY-3-C-TRIFLUOROMETHYL-BETA-D-GLYCERO-PENT-2-ENOFURANOSYL)-ADENINE
SpectraBase Compound ID 7HSaTp92WbB
InChI InChI=1S/C18H14F3N5O3/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/h1-6,8-9,12-13H,7H2,(H2,22,23,24)/t12-,13-/m0/s1
InChIKey KDNRBHNGCOEZQL-STQMWFEESA-N
Mol Weight 405.34 g/mol
Molecular Formula C18H14F3N5O3
Exact Mass 405.104874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EU5vtnQTGwf
Name 9-(5-O-BENZOYL-2,3-DIDEOXY-3-C-TRIFLUOROMETHYL-BETA-D-GLYCERO-PENT-2-ENOFURANOSYL)-ADENINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14F3N5O3
InChI InChI=1S/C18H14F3N5O3/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/h1-6,8-9,12-13H,7H2,(H2,22,23,24)/t12-,13-/m0/s1
InChIKey KDNRBHNGCOEZQL-STQMWFEESA-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 405.336 g/mol
Solvent DMSO-D6
Source File Reference UWSI24313