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3'-DEOXY-3'-FLUORO-5'-S-(4-METHOXYPHENYL)-5'-THIOADENOSINE
SpectraBase Compound ID 2ROzWx63Pwf
InChI InChI=1S/C17H18FN5O3S/c1-25-9-2-4-10(5-3-9)27-6-11-12(18)14(24)17(26-11)23-8-22-13-15(19)20-7-21-16(13)23/h2-5,7-8,11-12,14,17,24H,6H2,1H3,(H2,19,20,21)/t11-,12-,14-,17-/m1/s1
InChIKey OGFMKQXWWZTSKC-CTWCOEIASA-N
Mol Weight 391.42 g/mol
Molecular Formula C17H18FN5O3S
Exact Mass 391.111439 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dGwHj6Iwzc
Name 3'-DEOXY-3'-FLUORO-5'-S-(4-METHOXYPHENYL)-5'-THIOADENOSINE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18FN5O3S
InChI InChI=1S/C17H18FN5O3S/c1-25-9-2-4-10(5-3-9)27-6-11-12(18)14(24)17(26-11)23-8-22-13-15(19)20-7-21-16(13)23/h2-5,7-8,11-12,14,17,24H,6H2,1H3,(H2,19,20,21)/t11-,12-,14-,17-/m1/s1
InChIKey OGFMKQXWWZTSKC-CTWCOEIASA-N
Literature Reference Author M.J.ROBINS,V.NESCHADIMENKO,B.O.RO,C.S.YUAN,R.T.BORCHARDT,S.F .WNUK
Literature Reference Citation J.ORG.CHEM.,63,1205(1998)
Literature Reference DOI 10.1021/jo971741u
Solvent DMSO-D6
Source File Reference UWVN33475