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3-(4-phenylbenzoyl)propanoic acid 1,1-di(trifluoromethyl)methyl ester
SpectraBase Compound ID ugbTgp9jpZ
InChI InChI=1S/C19H14F6O3/c20-18(21,22)17(19(23,24)25)28-16(27)11-10-15(26)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKey IEEJETXZJFDBQX-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 DYd3w7eCE1S
Name 3-(4-phenylbenzoyl)propanoic acid 1,1-di(trifluoromethyl)methyl ester
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl 4-[1,1'-biphenyl]-4-yl-4-oxobutanoate
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Formula C19H14F6O3
InChI InChI=1S/C19H14F6O3/c20-18(21,22)17(19(23,24)25)28-16(27)11-10-15(26)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKey IEEJETXZJFDBQX-UHFFFAOYSA-N
Molecular Weight 404.308 g/mol
SMILES C(C(F)(F)F)(C(F)(F)F)OC(=O)CCC(c1ccc(cc1)-c1ccccc1)=O
SPLASH splash10-000i-3590000000-3ba40b33648a1caa0815
Source of Spectrum CJ-1992-0-0
Wiley ID 1371118