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4,4,5-trimethoxy-2-propyl-1-cyclohexa-2,5-dienone
SpectraBase Compound ID LDWUU0zRWoc
InChI InChI=1S/C12H18O4/c1-5-6-9-8-12(15-3,16-4)11(14-2)7-10(9)13/h7-8H,5-6H2,1-4H3
InChIKey OGGUVTZHTIUWHV-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ET1fRfmRMw7
Name 4,4,5-trimethoxy-2-propyl-1-cyclohexa-2,5-dienone
Alternate Name(s) 4,4,5-trimethoxy-2-propyl-2,5-cyclohexadien-1-one 4,4,5-trimethoxy-2-propyl-cyclohexa-2,5-dien-1-one
CAS Registry Number 67271-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-5-6-9-8-12(15-3,16-4)11(14-2)7-10(9)13/h7-8H,5-6H2,1-4H3
InChIKey OGGUVTZHTIUWHV-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C1(C(=CC(C(=C1)CCC)=O)OC)(OC)OC
SPLASH splash10-014j-9730000000-77bf6b0be988f0caa0aa
Source of Spectrum J-43-3984-0
Wiley ID 1227251