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2-(4,4,4-trifluoro-3-oxo-butanoyl)benzoic acid

View entire compound with spectra: 2 MS (GC)

2-(4,4,4-trifluoro-3-oxo-butanoyl)benzoic acid
SpectraBase Compound ID D0CUX5WH0Ww
InChI InChI=1S/C11H7F3O4/c12-11(13,14)9(16)5-8(15)6-3-1-2-4-7(6)10(17)18/h1-4H,5H2,(H,17,18)
InChIKey SDONTRYCUPTLJH-UHFFFAOYSA-N
Mol Weight 260.17 g/mol
Molecular Formula C11H7F3O4
Exact Mass 260.029643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FesvaIRQwR
Name 2-(4,4,4-trifluoro-3-oxobutanoyl)benzoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7F3O4
InChI InChI=1S/C11H7F3O4/c12-11(13,14)9(16)5-8(15)6-3-1-2-4-7(6)10(17)18/h1-4H,5H2,(H,17,18)
InChIKey SDONTRYCUPTLJH-UHFFFAOYSA-N
Molecular Weight 260.168 g/mol
SMILES OC(c1c(C(CC(C(F)(F)F)=O)=O)cccc1)=O
SPLASH splash10-00r2-0930000000-adf2aaf6171f46dfc782
Source of Spectrum B-54-340-1
Synonyms 2-(4,4,4-trifluoro-1,3-dioxobutyl)benzoic acid 2-(4,4,4-trifluoro-3-oxo-butanoyl)benzoic acid 2-[4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoyl]benzoic acid
Wiley ID 840862