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5'-DEOXY-5'-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE;MIXTURE_OF_5'-R_AND_5'-S

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5'-DEOXY-5'-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE;MIXTURE_OF_5'-R_AND_5'-S
SpectraBase Compound ID 4BLCqdPFuCa
InChI InChI=1S/2C17H18FN5O6S/c2*1-28-8-2-4-9(5-3-8)30(26,27)14(18)13-11(24)12(25)17(29-13)23-7-22-10-15(19)20-6-21-16(10)23/h2*2-7,11-14,17,24-25H,1H3,(H2,19,20,21)/t2*11-,12+,13-,14+,17+/m10/s1
InChIKey LTPMQSBGAMSQDD-JEMCDEIASA-N
Mol Weight 878.84 g/mol
Molecular Formula C34H36F2N10O12S2
Exact Mass 878.192365 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JjzwTP14gB
Name 5'-DEOXY-5'-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE;MIXTURE_OF_5'-R_AND_5'-S
Compound Number 7H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H36F2N10O12S2
InChI InChI=1S/2C17H18FN5O6S/c2*1-28-8-2-4-9(5-3-8)30(26,27)14(18)13-11(24)12(25)17(29-13)23-7-22-10-15(19)20-6-21-16(10)23/h2*2-7,11-14,17,24-25H,1H3,(H2,19,20,21)/t2*11-,12+,13-,14+,17+/m10/s1
InChIKey LTPMQSBGAMSQDD-JEMCDEIASA-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 UWMZ2459