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2',3'-DI-O-ACETYL-5'-DEOXY-5'-S-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE_1-N-OXIDE

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2',3'-DI-O-ACETYL-5'-DEOXY-5'-S-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE_1-N-OXIDE
SpectraBase Compound ID K9DA8P70IU9
InChI InChI=1S/C21H22FN5O9S/c1-10(28)34-15-16(18(22)37(31,32)13-6-4-12(33-3)5-7-13)36-21(17(15)35-11(2)29)26-8-24-14-19(23)27(30)9-25-20(14)26/h4-9,15-18,21H,23H2,1-3H3/t15-,16+,17-,18-,21-/m0/s1
InChIKey IIDFFBIKRMOTRP-UONLAYADSA-N
Mol Weight 539.49 g/mol
Molecular Formula C21H22FN5O9S
Exact Mass 539.112227 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9YNUzNg8Tf
Name 2',3'-DI-O-ACETYL-5'-DEOXY-5'-S-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE_1-N-OXIDE
Compound Number 8G-(5 '-S)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22FN5O9S
InChI InChI=1S/C21H22FN5O9S/c1-10(28)34-15-16(18(22)37(31,32)13-6-4-12(33-3)5-7-13)36-21(17(15)35-11(2)29)26-8-24-14-19(23)27(30)9-25-20(14)26/h4-9,15-18,21H,23H2,1-3H3/t15-,16+,17-,18-,21-/m0/s1
InChIKey IIDFFBIKRMOTRP-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 UWMZ2447