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3,5-BIS-(4-TRIFLUOROMETHYLSULFONYL-PHENOXY)-BENZOIC-ACID

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3,5-BIS-(4-TRIFLUOROMETHYLSULFONYL-PHENOXY)-BENZOIC-ACID
SpectraBase Compound ID 9oBoiOwwRAR
InChI InChI=1S/C21H12F6O8S2/c22-20(23,24)36(30,31)17-5-1-13(2-6-17)34-15-9-12(19(28)29)10-16(11-15)35-14-3-7-18(8-4-14)37(32,33)21(25,26)27/h1-11H,(H,28,29)
InChIKey CBVWDVQMSDZXHH-UHFFFAOYSA-N
Mol Weight 570.43 g/mol
Molecular Formula C21H12F6O8S2
Exact Mass 569.987779 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IP4yUl1Kh0t
Name 3,5-BIS-(4-TRIFLUOROMETHYLSULFONYL-PHENOXY)-BENZOIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H12F6O8S2
InChI InChI=1S/C21H12F6O8S2/c22-20(23,24)36(30,31)17-5-1-13(2-6-17)34-15-9-12(19(28)29)10-16(11-15)35-14-3-7-18(8-4-14)37(32,33)21(25,26)27/h1-11H,(H,28,29)
InChIKey CBVWDVQMSDZXHH-UHFFFAOYSA-N
Literature Reference Author P.HUANG,J.RAMPHAL,J.WEI,C.LIANG,B.JALLAL,G.M.MAHON,C.TANG
Literature Reference Citation BIOORG.MED.CHEM.,11,1835(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00039-7
Solvent DMSO
Source File Reference UWSI29208