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(E)-5-methyl-1-phenyl-2-(3-(trifluoromethyl)phenyl)hex-2-en-1-one
SpectraBase Compound ID 1tGZvoXFFAM
InChI InChI=1S/C20H19F3O/c1-14(2)11-12-18(19(24)15-7-4-3-5-8-15)16-9-6-10-17(13-16)20(21,22)23/h3-10,12-14H,11H2,1-2H3/b18-12+
InChIKey KRRUXLVRKGINOV-LDADJPATSA-N
Mol Weight 332.37 g/mol
Molecular Formula C20H19F3O
Exact Mass 332.1388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aNsEMWU8bV
Name (E)-5-methyl-1-phenyl-2-(3-(trifluoromethyl)phenyl)hex-2-en-1-one
Appearance Yellow oil
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Exact Mass 332.138799720 u
Formula C20H19F3O
GC Column HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer)
GC Oven Program Oven temp 290oC or 320oC
InChI InChI=1S/C20H19F3O/c1-14(2)11-12-18(19(24)15-7-4-3-5-8-15)16-9-6-10-17(13-16)20(21,22)23/h3-10,12-14H,11H2,1-2H3/b18-12+
InChIKey KRRUXLVRKGINOV-LDADJPATSA-N
Instrument Name Agilent Technologies 7890A-Agilent 5975C VL MSD or Agilent 5975 inert
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600710
Molecular Weight 332.366 g/mol
Quality 221
Reported Formula C20H19F3O
SMILES CC(C\C=C\(C(=O)C1=CC=CC=C1)C1=CC(=CC=C1)C(F)(F)F)C
SPLASH splash10-0a4i-4932000000-1f1b0b3f39ca60650300
Source of Spectrum QE-22-SM21-3ai (DOI: 10.1002/chem.201600710)
Thin-Layer Chromatography 0.40 (pentane/EtOAc, 20:1)
Wiley ID 1903164