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4-(2,2,2-trifluoroacetyl)benzoic acid

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4-(2,2,2-trifluoroacetyl)benzoic acid
SpectraBase Compound ID EBAmbwvZtUf
InChI InChI=1S/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15)
InChIKey WLTZCRCZDLLXQP-UHFFFAOYSA-N
Mol Weight 218.13 g/mol
Molecular Formula C9H5F3O3
Exact Mass 218.019079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UyC1uOEYnn
Name 4-(2,2,2-trifluoroacetyl)benzoic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H5F3O3
InChI InChI=1S/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15)
InChIKey WLTZCRCZDLLXQP-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 218.132 g/mol
Source File Reference MHKO5640