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4-[3-(4-TRIFLUOROMETHANESULFONYL-PHENOXY)-PHENOXY]-BENZOIC-ACID
SpectraBase Compound ID G9t3sO9YXRa
InChI InChI=1S/C20H13F3O6S/c21-20(22,23)30(26,27)18-10-8-15(9-11-18)29-17-3-1-2-16(12-17)28-14-6-4-13(5-7-14)19(24)25/h1-12H,(H,24,25)
InChIKey WAFAMMJKOMRAGL-UHFFFAOYSA-N
Mol Weight 438.37 g/mol
Molecular Formula C20H13F3O6S
Exact Mass 438.038494 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5JjYAhstuy
Name 4-[3-(4-TRIFLUOROMETHANESULFONYL-PHENOXY)-PHENOXY]-BENZOIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13F3O6S
InChI InChI=1S/C20H13F3O6S/c21-20(22,23)30(26,27)18-10-8-15(9-11-18)29-17-3-1-2-16(12-17)28-14-6-4-13(5-7-14)19(24)25/h1-12H,(H,24,25)
InChIKey WAFAMMJKOMRAGL-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 UWSI29209