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2',3'-DI-O-ACETYL-5'-S-FLUORO-5'-S-(4-METHOXYPHENYL)-5'-THIOADENOSINE
SpectraBase Compound ID 6bJ788UXL4z
InChI InChI=1S/C21H22FN5O6S/c1-10(28)31-15-16(18(22)34-13-6-4-12(30-3)5-7-13)33-21(17(15)32-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18-,21-/m0/s1
InChIKey BFTPIKJPXYQTKH-UONLAYADSA-N
Mol Weight 491.49 g/mol
Molecular Formula C21H22FN5O6S
Exact Mass 491.127483 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1ssbTT244l
Name 2',3'-DI-O-ACETYL-5'-S-FLUORO-5'-S-(4-METHOXYPHENYL)-5'-THIOADENOSINE
Compound Number 4B-(5'-S)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22FN5O6S
InChI InChI=1S/C21H22FN5O6S/c1-10(28)31-15-16(18(22)34-13-6-4-12(30-3)5-7-13)33-21(17(15)32-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18-,21-/m0/s1
InChIKey BFTPIKJPXYQTKH-UONLAYADSA-N
Literature Reference Author M.J.ROBINS,S.F.WNUK,K.B.MULLAH,N.K.DALLEY,C.S.YUAN,Y.LEE,R.T .BORCHARDT
Literature Reference Citation J.ORG.CHEM.,59,544(1994)
Literature Reference DOI 10.1021/jo00082a010
Solvent DMSO-D6
Source File Reference UWMZ2438