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4-(2,4-Bistrifluoromethylphenyl)but-3-en-2-one
SpectraBase Compound ID Jl1QrlZzugN
InChI InChI=1S/C12H8F6O/c1-7(19)2-3-8-4-5-9(11(13,14)15)6-10(8)12(16,17)18/h2-6H,1H3/b3-2+
InChIKey QQEWWWOUTGUMKU-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 7sB3f25BxCw
Name 4-(2,4-Bistrifluoromethylphenyl)but-3-en-2-one
Alternate Name(s) (3E)-4-[2,4-bis(trifluoromethyl)phenyl]-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8F6O
InChI InChI=1S/C12H8F6O/c1-7(19)2-3-8-4-5-9(11(13,14)15)6-10(8)12(16,17)18/h2-6H,1H3/b3-2+
InChIKey QQEWWWOUTGUMKU-NSCUHMNNSA-N
Molecular Weight 282.185 g/mol
SMILES C(c1cc(C(F)(F)F)ccc1\C=C\C(=O)C)(F)(F)F
SPLASH splash10-02ai-0090000000-c88571b4ed7e5a4cfbd7
Source of Spectrum AT-38-4266-6
Wiley ID 853901