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6-(4-Methoxyphenyl)-2,4-hexanedione
SpectraBase Compound ID Lmt7qXrwV7V
InChI InChI=1S/C13H16O3/c1-10(14)9-12(15)6-3-11-4-7-13(16-2)8-5-11/h4-5,7-8H,3,6,9H2,1-2H3
InChIKey AAVAZHXKSHERQA-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 Hsda5bo8uwh
Name 6-(4-Methoxyphenyl)-2,4-hexanedione
Appearance Light yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(14)9-12(15)6-3-11-4-7-13(16-2)8-5-11/h4-5,7-8H,3,6,9H2,1-2H3
InChIKey AAVAZHXKSHERQA-UHFFFAOYSA-N
Instrument Name HP 5890 series
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.167
Molecular Weight 220.268 g/mol
SMILES COc1ccc(cc1)CCC(CC(C)=O)=O
SPLASH splash10-00di-3920000000-53aefe1e07735710194a
Source of Spectrum BJO-9-SM2-1f
Wiley ID 1853721