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4,4-Dimethyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID LcNUyVbMXct
InChI InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey YKDJBIPPVNMAGR-UHFFFAOYSA-N
Mol Weight 122.17 g/mol
Molecular Formula C8H10O
Exact Mass 122.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrnrMGrWETG
Name 2,5-Cyclohexadien-1-one, 4,4-dimethyl-
Alternate Name(s) 4,4-Dimethyl-2,5-cyclohexadien-1-one 4,4-Dimethylcyclohexa-2,5-dien-1-one 4,4-Dimethyl-1-cyclohexa-2,5-dienone 4,4-Dimethylcyclohexadienone
CAS Registry Number 1073-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O
InChI InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey YKDJBIPPVNMAGR-UHFFFAOYSA-N
Molecular Weight 122.167 g/mol
SMILES C=1C(C=CC(C1)=O)(C)C
SPLASH splash10-004i-9100000000-587749a5e9a3f3689dc9
Source of Spectrum U1-2002-1714-15
Wiley ID 1522460