John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10OuTTwoOR0 SpectraBase Spectrum ID=HMCfGgptW5o

(accessed ).
2'-O-ACETYL-3'DEOXY-3'-FLUORO-5'-S-(4-METHOXYPHENYL)-5'-THIOADENOSINE
SpectraBase Compound ID 10OuTTwoOR0
InChI InChI=1S/C19H20FN5O4S/c1-10(26)28-16-14(20)13(7-30-12-5-3-11(27-2)4-6-12)29-19(16)25-9-24-15-17(21)22-8-23-18(15)25/h3-6,8-9,13-14,16,19H,7H2,1-2H3,(H2,21,22,23)/t13-,14-,16-,19-/m1/s1
InChIKey FFRBCSAFPMIKHG-NPNMTCQASA-N
Mol Weight 433.46 g/mol
Molecular Formula C19H20FN5O4S
Exact Mass 433.122004 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMCfGgptW5o
Name 2'-O-ACETYL-3'DEOXY-3'-FLUORO-5'-S-(4-METHOXYPHENYL)-5'-THIOADENOSINE
Compound Number 8B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20FN5O4S
InChI InChI=1S/C19H20FN5O4S/c1-10(26)28-16-14(20)13(7-30-12-5-3-11(27-2)4-6-12)29-19(16)25-9-24-15-17(21)22-8-23-18(15)25/h3-6,8-9,13-14,16,19H,7H2,1-2H3,(H2,21,22,23)/t13-,14-,16-,19-/m1/s1
InChIKey FFRBCSAFPMIKHG-NPNMTCQASA-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 CDCl3
Source File Reference UWVN33478
SpectraBase Batch ID LNams5KkaYE