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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LuLFwDVduk
Name 4-(Trifluoroacetyl)benzoic acid
CAS Registry Number 58808-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 218.131 g/mol
SMILES OC(c1ccc(cc1)C(=O)C(F)(F)F)=O
SPLASH splash10-0002-0900000000-38eafed2181fd5338fdf
Source of Spectrum AJ-72-1370-0
Synonyms 4-(2,2,2-trifluoro-1-oxoethyl)benzoic acid 4-(2,2,2-trifluoroacetyl)benzoic acid 4-[2,2,2-tris(fluoranyl)ethanoyl]benzoic acid
Wiley ID 775030