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3-(4-phenylbenzoyl)-2-propenoic acid 1,1-di(trifluoromethyl)methyl ester
SpectraBase Compound ID FsRiPZIBTuZ
InChI InChI=1S/C19H12F6O3/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/h1-11,17H/b11-10+
InChIKey JANGIYFBEVBFHQ-ZHACJKMWSA-N
Mol Weight 402.29 g/mol
Molecular Formula C19H12F6O3
Exact Mass 402.069063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E35sVdWfW61
Name 3-(4-phenylbenzoyl)-2-propenoic acid 1,1-di(trifluoromethyl)methyl ester
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl (2E)-4-[1,1'-biphenyl]-4-yl-4-oxo-2-butenoate
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Formula C19H12F6O3
InChI InChI=1S/C19H12F6O3/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/h1-11,17H/b11-10+
InChIKey JANGIYFBEVBFHQ-ZHACJKMWSA-N
Molecular Weight 402.292 g/mol
SMILES C(C(F)(F)F)(C(F)(F)F)OC(\C=C\C(c1ccc(cc1)-c1ccccc1)=O)=O
SPLASH splash10-000i-1390100000-4819411bba0c0ca02850
Source of Spectrum CJ-1992-0-0
Wiley ID 1370213