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5'-[( Acetylthio)methyl]-N(6)-benzoyl-2',3',5'-trideoxy-1'a-carbaadenosine
SpectraBase Compound ID Cfp8cuPETDr
InChI InChI=1S/C21H23N5O2S/c1-14(27)29-10-9-15-7-8-17(11-15)26-13-24-18-19(22-12-23-20(18)26)25-21(28)16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11H2,1H3,(H,22,23,25,28)/t15-,17-/m0/s1
InChIKey JQTXISWGRSGEOB-RDJZCZTQSA-N
Mol Weight 409.51 g/mol
Molecular Formula C21H23N5O2S
Exact Mass 409.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAxQ7eWT3K8
Name 5'-[(ACETYLTHIO)-METHYL]-N(6)-BENZOYL-2',3',5'-TRIDEOXY-1'-A-CARBAADENOSINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N5O2S
InChI InChI=1S/C21H23N5O2S/c1-14(27)29-10-9-15-7-8-17(11-15)26-13-24-18-19(22-12-23-20(18)26)25-21(28)16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11H2,1H3,(H,22,23,25,28)/t15-,17-/m0/s1
InChIKey JQTXISWGRSGEOB-RDJZCZTQSA-N
Literature Reference Author T.F.JENNY,J.HORLACHER,N.PREVISANI,S.A.BENNER
Literature Reference Citation HELV.CHIM.ACTA,75,1944(1992)
Literature Reference DOI 10.1002/hlca.19920750620
Molecular Weight 409.506 g/mol
Solvent CDCl3
Source File Reference UWCS8879