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2',3'-DI-O-ACETYL-5'-R-FLUORO-5'-S-(4-CHLOROPHENYL)-5'-THIOADENOSINE
SpectraBase Compound ID 2aGo4tTRKHb
InChI InChI=1S/C20H19ClFN5O5S/c1-9(28)30-14-15(17(22)33-12-5-3-11(21)4-6-12)32-20(16(14)31-10(2)29)27-8-26-13-18(23)24-7-25-19(13)27/h3-8,14-17,20H,1-2H3,(H2,23,24,25)/t14-,15+,16-,17+,20-/m0/s1
InChIKey PZLAOUBGXXTXHT-PHSQPZKOSA-N
Mol Weight 495.91 g/mol
Molecular Formula C20H19ClFN5O5S
Exact Mass 495.077946 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cxh0hSVIK8o
Name 2',3'-DI-O-ACETYL-5'-R-FLUORO-5'-S-(4-CHLOROPHENYL)-5'-THIOADENOSINE
Compound Number 4C-(5'-R)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19ClFN5O5S
InChI InChI=1S/C20H19ClFN5O5S/c1-9(28)30-14-15(17(22)33-12-5-3-11(21)4-6-12)32-20(16(14)31-10(2)29)27-8-26-13-18(23)24-7-25-19(13)27/h3-8,14-17,20H,1-2H3,(H2,23,24,25)/t14-,15+,16-,17+,20-/m0/s1
InChIKey PZLAOUBGXXTXHT-PHSQPZKOSA-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 UWMZ2439