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3-Methyl-1,2-diphenylbut-2-en-1-one
SpectraBase Compound ID 2t5MenIgokz
InChI InChI=1S/C17H16O/c1-13(2)16(14-9-5-3-6-10-14)17(18)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKey YTQCDTIBUCYQAY-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52UeoQXf9u5
Name 3-methyl-1,2-diphenylbut-2-en-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.120115134 u
Formula C17H16O
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/C17H16O/c1-13(2)16(14-9-5-3-6-10-14)17(18)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKey YTQCDTIBUCYQAY-UHFFFAOYSA-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 236.314 g/mol
Quality 209
Reported Formula C17H16O
SMILES CC(=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C
SPLASH splash10-0ay3-4960000000-c6186650d05fd0ad101a
Source of Spectrum QE-22-SM12-3ga (DOI: 10.1002/chem.201600710)
Thin-Layer Chromatography 0.48 (pentane/EtOAc, 15:1)
Wiley ID 1903169