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2-(1-HYDROXY-4,4-DIMETHYL-3-OXO-1-PENTENYL)-3-(TRIFLUOROMETHYL)-BENZOIC-ACID
SpectraBase Compound ID 9eMI3b5hQDw
InChI InChI=1S/C15H15F3O4/c1-13(2,3)10(19)7-14(21)11-8(12(20)22-14)5-4-6-9(11)15(16,17)18/h4-6,21H,7H2,1-3H3
InChIKey WAYVGKMDQGROHI-UHFFFAOYSA-N
Mol Weight 316.28 g/mol
Molecular Formula C15H15F3O4
Exact Mass 316.092243 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 171JTvo72Hc
Name 2-(1-HYDROXY-4,4-DIMETHYL-3-OXO-1-PENTENYL)-3-(TRIFLUOROMETHYL)-BENZOIC-ACID
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15F3O4
InChI InChI=1S/C15H15F3O4/c1-13(2,3)10(19)7-14(21)11-8(12(20)22-14)5-4-6-9(11)15(16,17)18/h4-6,21H,7H2,1-3H3
InChIKey WAYVGKMDQGROHI-UHFFFAOYSA-N
Literature Reference Author J.P.CHUPP,G.C.LEO,J.M.MOLYNEAUX
Literature Reference Citation J.HETCYCL.CHEM.,28,613(1991)
Literature Reference DOI 10.1002/jhet.5570280314
Solvent Unknown
Source File Reference UWCS23910