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6-(3-Methoxyphenyl)-2,4-hexanedione
SpectraBase Compound ID C9ii2Fi4ryT
InChI InChI=1S/C13H16O3/c1-10(14)8-12(15)7-6-11-4-3-5-13(9-11)16-2/h3-5,9H,6-8H2,1-2H3
InChIKey WFJJKDCBHOTXMU-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 4D6LatNq2y
Name 6-(3-Methoxyphenyl)-2,4-hexanedione
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(14)8-12(15)7-6-11-4-3-5-13(9-11)16-2/h3-5,9H,6-8H2,1-2H3
InChIKey WFJJKDCBHOTXMU-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 COc1cc(ccc1)CCC(CC(C)=O)=O
SPLASH splash10-0079-8920000000-bc41e9988fec13c7bf6a
Source of Spectrum BJO-9-SM3-1g
Wiley ID 1853722