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3-(3-ketobutyl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one
SpectraBase Compound ID H2A1dgVm4sm
InChI InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h7-8H,5-6H2,1-4H3
InChIKey FQBSMSHWOZHTFV-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Szo6WcoGrH
Name 2,5-Cyclohexadien-1-one, 2,4,4-trimethyl-3-(3-oxobutyl)-
Alternate Name(s) 2,4,4-Trimethyl-3-(3-oxobutyl)-2,5-cyclohexadien-1-one 2,3-Dehydro-4-oxo-7,8-dihydro-.beta.-ionone 2,4,4-trimethyl-3-(3-oxidanylidenebutyl)cyclohexa-2,5-dien-1-one 2,4,4-trimethyl-3-(3-oxobutyl)-1-cyclohexa-2,5-dienone 2,4,4-trimethyl-3-(3-oxobutyl)cyclohexa-2,5-dien-1-one 3-(3-ketobutyl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one
CAS Registry Number 83646-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h7-8H,5-6H2,1-4H3
InChIKey FQBSMSHWOZHTFV-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C1(C=CC(C(=C1C)CCC(=O)C)(C)C)=O
SPLASH splash10-06rm-5900000000-16641354ba98138951e3
Source of Spectrum PR-192-0-0
Wiley ID 1204635