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1-(2-Allyl-3-methylphenyl)ethan-1-one
SpectraBase Compound ID 6HSlMWuKGrs
InChI InChI=1S/C12H14O/c1-4-6-11-9(2)7-5-8-12(11)10(3)13/h4-5,7-8H,1,6H2,2-3H3
InChIKey KNYFGXICDUSZKZ-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vKKWPMp60i
Name 1-(2-Allyl-3-methylphenyl)ethan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
InChI InChI=1S/C12H14O/c1-4-6-11-9(2)7-5-8-12(11)10(3)13/h4-5,7-8H,1,6H2,2-3H3
InChIKey KNYFGXICDUSZKZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201601560
Molecular Weight 174.243 g/mol
Quality 254
Reported Formula C12H14O
SMILES C(CC1=C(C=CC=C1C)C(C)=O)=C
SPLASH splash10-0a4i-2900000000-4a97ad136ab5bf099762
Source of Spectrum ACI-55-SM11-3ma' (DOI: 10.1002/anie.201601560)
Thin-Layer Chromatography 0.5 (n-hexane/EtOAc, 10:1)
Wiley ID 1904459