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5'-DEOXY-5'-(S)-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE_1-N-OXIDE
SpectraBase Compound ID 3vZani2R7sf
InChI InChI=1S/C17H18FN5O7S/c1-29-8-2-4-9(5-3-8)31(27,28)14(18)13-11(24)12(25)17(30-13)22-6-20-10-15(19)23(26)7-21-16(10)22/h2-7,11-14,17,24-25H,19H2,1H3/t11-,12+,13-,14-,17+/m1/s1
InChIKey RTJYLRKLEOGTFK-RFJMFJJWSA-N
Mol Weight 455.42 g/mol
Molecular Formula C17H18FN5O7S
Exact Mass 455.091097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbDTNjrD0jJ
Name 5'-DEOXY-5'-(S)-FLUORO-5'-[(4-METHOXYPHENYL)-SULFONYL]-ADENOSINE_1-N-OXIDE
Compound Number 8H-(5'-S)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18FN5O7S
InChI InChI=1S/C17H18FN5O7S/c1-29-8-2-4-9(5-3-8)31(27,28)14(18)13-11(24)12(25)17(30-13)22-6-20-10-15(19)23(26)7-21-16(10)22/h2-7,11-14,17,24-25H,19H2,1H3/t11-,12+,13-,14-,17+/m1/s1
InChIKey RTJYLRKLEOGTFK-RFJMFJJWSA-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
Molecular Weight 455.418 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2460