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(E)-4-(3',5'-bistrifluormethylmethylphenyl)-3-buten-2-one
SpectraBase Compound ID JnnbuUPmlso
InChI InChI=1S/C12H8F6O/c1-7(19)2-3-8-4-9(11(13,14)15)6-10(5-8)12(16,17)18/h2-6H,1H3/b3-2+
InChIKey BOUPDSACJMGJON-NSCUHMNNSA-N
Mol Weight 282.19 g/mol
Molecular Formula C12H8F6O
Exact Mass 282.047934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYi9mKCjRSU
Name (E)-4-(3',5'-bistrifluormethylmethylphenyl)-3-buten-2-one
Alternate Name(s) (E)-4-(3,5-bis(trifluoromethyl)phenyl)but-3-en-2-one (E)-4-[3,5-bis(trifluoromethyl)phenyl]-3-buten-2-one
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Formula C12H8F6O
InChI InChI=1S/C12H8F6O/c1-7(19)2-3-8-4-9(11(13,14)15)6-10(5-8)12(16,17)18/h2-6H,1H3/b3-2+
InChIKey BOUPDSACJMGJON-NSCUHMNNSA-N
Literature Reference DOI 10.1002/adsc.200900902
Molecular Weight 282.185 g/mol
SMILES c1(C(F)(F)F)cc(cc(c1)C(F)(F)F)\C=C\C(C)=O
SPLASH splash10-014i-0090000000-48f05345e9d647cf6628
Source of Spectrum ASC-352-1135/SM10-4n
Wiley ID 1764404