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2-(4-benzoylphenyl)propanoic acid 1,1-(trifluoromethyl)methyl ester
SpectraBase Compound ID 8vEndoFlAkk
InChI InChI=1S/C19H14F6O3/c1-11(16(27)28-17(18(20,21)22)19(23,24)25)12-7-9-14(10-8-12)15(26)13-5-3-2-4-6-13/h2-11,17H,1H3
InChIKey LPWBRDRLHKFZHV-UHFFFAOYSA-N
Mol Weight 404.31 g/mol
Molecular Formula C19H14F6O3
Exact Mass 404.084713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0vwaFvjSa0
Name 2-(4-benzoylphenyl)propanoic acid 1,1-(trifluoromethyl)methyl ester
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl 2-(4-benzoylphenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14F6O3
InChI InChI=1S/C19H14F6O3/c1-11(16(27)28-17(18(20,21)22)19(23,24)25)12-7-9-14(10-8-12)15(26)13-5-3-2-4-6-13/h2-11,17H,1H3
InChIKey LPWBRDRLHKFZHV-UHFFFAOYSA-N
Molecular Weight 404.308 g/mol
SMILES C(C(F)(F)F)(C(F)(F)F)OC(C(c1ccc(C(=O)c2ccccc2)cc1)C)=O
SPLASH splash10-0a6r-4934200000-7a958d9733128ee0a30b
Source of Spectrum CJ-1992-0-0
Wiley ID 1371117