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1-(3,4-Dimethoxyphenyl)pent-4-en-1-one
SpectraBase Compound ID 1oYujPAQ611
InChI InChI=1S/C13H16O3/c1-4-5-6-11(14)10-7-8-12(15-2)13(9-10)16-3/h4,7-9H,1,5-6H2,2-3H3
InChIKey WBNWIJWGHVABGT-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZam8jiqYgT
Name 1-(3,4-Dimethoxyphenyl)pent-4-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-4-5-6-11(14)10-7-8-12(15-2)13(9-10)16-3/h4,7-9H,1,5-6H2,2-3H3
InChIKey WBNWIJWGHVABGT-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801479
Molecular Weight 220.268 g/mol
Reported Formula C13H16O3
SMILES COc1c(cc(cc1)C(CCC=C)=O)OC
SPLASH splash10-014i-1910000000-d4bcef738de2180d5ad6
Source of Spectrum U1-2019-144-11
Wiley ID 1843575