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2-Allyl-5,5-dimethyl-cyclohexane-1,3-dione
SpectraBase Compound ID CY4yf38BplK
InChI InChI=1S/C11H16O2/c1-4-5-8-9(12)6-11(2,3)7-10(8)13/h4,8H,1,5-7H2,2-3H3
InChIKey BTNZTGPJWZBPOJ-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQN7CHD14Q7
Name 2-Allyl-5,5-dimethyl-cyclohexane-1,3-dione
Alternate Name(s) 2-Allyl-5,5-dimethyl-cyclohexane-1,3-quinone 5,5-Dimethyl-2-prop-2-enyl-cyclohexane-1,3-dione
CAS Registry Number 1131-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-4-5-8-9(12)6-11(2,3)7-10(8)13/h4,8H,1,5-7H2,2-3H3
InChIKey BTNZTGPJWZBPOJ-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES C=CCC1C(CC(C)(C)CC1=O)=O
SPLASH splash10-001i-9600000000-2d04ef3be85de935ac64
Source of Spectrum AN-84-757-0
Wiley ID 1176448