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3-[[3'-(Trifluoromethyl)phenoxy]methyl]benzoic Acid
SpectraBase Compound ID 3UhmvwP86YH
InChI InChI=1S/C15H11F3O3/c16-15(17,18)12-5-2-6-13(8-12)21-9-10-3-1-4-11(7-10)14(19)20/h1-8H,9H2,(H,19,20)
InChIKey ADVJJRZKKHMFQQ-UHFFFAOYSA-N
Mol Weight 296.25 g/mol
Molecular Formula C15H11F3O3
Exact Mass 296.066029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nFvs1XsycT
Name 3-[[3'-(TRIFLUOROMETHYL)-PHENOXY]-METHYL]-BENZOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11F3O3
InChI InChI=1S/C15H11F3O3/c16-15(17,18)12-5-2-6-13(8-12)21-9-10-3-1-4-11(7-10)14(19)20/h1-8H,9H2,(H,19,20)
InChIKey ADVJJRZKKHMFQQ-UHFFFAOYSA-N
Literature Reference Author G.A.REED,D.R.DIMMEL,E.W.MALCOLM
Literature Reference Citation J.ORG.CHEM.,58,6372(1993)
Literature Reference DOI 10.1021/jo00075a035
Molecular Weight 296.246 g/mol
Solvent DMSO-D6
Source File Reference UWGE5131