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1,3-Cyclohexanedione, 2-butyl-2-methyl-
SpectraBase Compound ID 6caqC2cYElH
InChI InChI=1S/C11H18O2/c1-3-4-8-11(2)9(12)6-5-7-10(11)13/h3-8H2,1-2H3
InChIKey COGNBEPWQLUUCV-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gOkNaqHm3A
Name 1,3-Cyclohexanedione, 2-butyl-2-methyl-
Alternate Name(s) 2-Butyl-2-methyl-1,3-cyclohexanedione 2-Butyl-2-methyl-cyclohexane-1,3-dione 2-Butyl-2-methyl-cyclohexane-1,3-quinone
CAS Registry Number 54644-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-3-4-8-11(2)9(12)6-5-7-10(11)13/h3-8H2,1-2H3
InChIKey COGNBEPWQLUUCV-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C(CC1(C)C(=O)CCCC1=O)CC
SPLASH splash10-01p6-9400000000-ca8689a3d77d752c7609
Source of Spectrum T-67-2201-0
Wiley ID 18753