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4-(2,2,2-trifluoro-1-oxoethyl)benzoic acid methyl ester
SpectraBase Compound ID H2ajnKeHbax
InChI InChI=1S/C10H7F3O3/c1-16-9(15)7-4-2-6(3-5-7)8(14)10(11,12)13/h2-5H,1H3
InChIKey LRHOYBJCPJPNSG-UHFFFAOYSA-N
Mol Weight 232.16 g/mol
Molecular Formula C10H7F3O3
Exact Mass 232.034729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo61uxpp09n
Name 4-(2,2,2-trifluoro-1-oxoethyl)benzoic acid methyl ester
Alternate Name(s) 4-(2,2,2-trifluoroacetyl)benzoic acid methyl ester Methyl 4-(2,2,2-trifluoroacetyl)benzoate Methyl 4-[2,2,2-tris(fluoranyl)ethanoyl]benzoate
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Formula C10H7F3O3
InChI InChI=1S/C10H7F3O3/c1-16-9(15)7-4-2-6(3-5-7)8(14)10(11,12)13/h2-5H,1H3
InChIKey LRHOYBJCPJPNSG-UHFFFAOYSA-N
Molecular Weight 232.158 g/mol
SMILES C(c1ccc(cc1)C(=O)C(F)(F)F)(=O)OC
SPLASH splash10-03di-0920000000-cb56dafe59447e9798bb
Source of Spectrum AJ-72-1370-1
Wiley ID 775029