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3-(5-ACETYL-2-THIENYL)-DIFLUOROMETHANESULFONIC-ACID-AMMONIUM-SALT
SpectraBase Compound ID K4b3NqO6v2m
InChI InChI=1S/C13H10F2O4S2.N/c1-8(16)11-5-6-12(20-11)9-3-2-4-10(7-9)13(14,15)21(17,18)19;/h2-7H,1H3,(H,17,18,19);/q;+1/p-1
InChIKey RKUMMFHXSOZGTC-UHFFFAOYSA-M
Mol Weight 345.33 g/mol
Molecular Formula C13H9F2NO4S2
Exact Mass 344.994106 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrhpXCpMj5C
Name 3-(5-ACETYL-2-THIENYL)-DIFLUOROMETHANESULFONIC-ACID-AMMONIUM-SALT
Compound Number 71
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9F2NO4S2
InChI InChI=1S/C13H10F2O4S2.N/c1-8(16)11-5-6-12(20-11)9-3-2-4-10(7-9)13(14,15)21(17,18)19;/h2-7H,1H3,(H,17,18,19);/q;+1/p-1
InChIKey RKUMMFHXSOZGTC-UHFFFAOYSA-M
Literature Reference Author C.LEUNG,J.GRZYB,J.LEE,N.MEYER,G.HUM,C.JIA,S.LIU,S.D.TAYLOR
Literature Reference Citation BIOORG.MED.CHEM.,10,2309(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00062-7
Solvent D2O
Source File Reference UWVN28537