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4,4-Dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID LJzwAkzj18d
InChI InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3
InChIKey PLGPBTCNKJQJHQ-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57cN1lR3HU
Name 3-Hydroxy-6,6-dimethyl-2-cyclohexen-1-one
Alternate Name(s) 1,3-Cyclohexanedione, 4,4-dimethyl- 4,4-Dimethyl-1,3-cyclohexanedione 4,4-Dimethylcyclohexane-1,3-dione 4,4-Dimethylcyclohexane-1,3-quinone
CAS Registry Number 562-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3
InChIKey PLGPBTCNKJQJHQ-UHFFFAOYSA-N
Molecular Weight 140.182 g/mol
SMILES C1(CCC(CC1=O)=O)(C)C
SPLASH splash10-0536-9100000000-23744e5efe807e37c59e
Source of Spectrum W5-0-0-0
Wiley ID 1139323