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4-Methyl-1-phenyl-3-pentanone
SpectraBase Compound ID Ii20zAIwVNy
InChI InChI=1S/C12H16O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey QATHVLKLWVUSRC-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBdVkZ3HubO
Name 4-methyl-1-phenylpentan-3-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C12H16O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey QATHVLKLWVUSRC-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 176.259 g/mol
Quality 99
SMILES CC(C(CCC1=CC=CC=C1)=O)C
SPLASH splash10-0a4l-5900000000-5efb1d35bcdeccda77be
Source of Spectrum QE-28-SM196-3be (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.33 (nHex/Et2O, 95:5)
Wiley ID 1902373