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DI-[3-CARBOXY-4-HYDROXY-5-(TRIFLUOROMETHYL)-PHENYL]-METHANE
SpectraBase Compound ID 9wl7ayJAwRi
InChI InChI=1S/C17H10F6O6/c18-16(19,20)10-4-6(2-8(12(10)24)14(26)27)1-7-3-9(15(28)29)13(25)11(5-7)17(21,22)23/h2-5,24-25H,1H2,(H,26,27)(H,28,29)
InChIKey YWPUQAULMTYTLL-UHFFFAOYSA-N
Mol Weight 424.25 g/mol
Molecular Formula C17H10F6O6
Exact Mass 424.038157 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5EaHwO34A9n
Name DI-[3-CARBOXY-4-HYDROXY-5-(TRIFLUOROMETHYL)-PHENYL]-METHANE
Compound Number 61
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H10F6O6
InChI InChI=1S/C17H10F6O6/c18-16(19,20)10-4-6(2-8(12(10)24)14(26)27)1-7-3-9(15(28)29)13(25)11(5-7)17(21,22)23/h2-5,24-25H,1H2,(H,26,27)(H,28,29)
InChIKey YWPUQAULMTYTLL-UHFFFAOYSA-N
Literature Reference Author G.XU,M.MICKLATCHER,M.A.SILVESTRI,T.L.HARTMAN,J.BURRIER,M.C.O STERLING,H.WARGO,J.A
Literature Reference Citation J.MED.CHEM.,44,4092(2001)
Literature Reference DOI 10.1021/jm010212m
Solvent ACETONE-D6
Source File Reference UWSI45302