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1,3-Cyclohexanedione, 2-(1,3-cyclohexadienyl)-5,5-dimethyl-
SpectraBase Compound ID Js2UJzQbx1N
InChI InChI=1S/C14H18O2/c1-14(2)8-11(15)13(12(16)9-14)10-6-4-3-5-7-10/h3-4,6,13H,5,7-9H2,1-2H3
InChIKey PXMNXHKOWUDRHE-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sl5nRrJTsO
Name 1,3-Cyclohexanedione, 2-(1,3-cyclohexadienyl)-5,5-dimethyl-
CAS Registry Number 54965-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-14(2)8-11(15)13(12(16)9-14)10-6-4-3-5-7-10/h3-4,6,13H,5,7-9H2,1-2H3
InChIKey PXMNXHKOWUDRHE-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C1(=O)C(C(=O)CC(C1)(C)C)C=1CCC=CC1
SPLASH splash10-014i-9670000000-e162fb13cef8ab929450
Source of Spectrum T-68-3169-0
Synonyms 2-(1,3-Cyclohexadien-1-yl)-5,5-dimethyl-1,3-cyclohexanedione 2-(1-cyclohexa-1,3-dienyl)-5,5-dimethylcyclohexane-1,3-dione 2-cyclohexa-1,3-dien-1-yl-5,5-dimethyl-cyclohexane-1,3-dione 2-cyclohexa-1,3-dien-1-yl-5,5-dimethyl-cyclohexane-1,3-quinone
Wiley ID 1217919