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4-(5,5-Dimethyl-3-oxocyclohexenyl)butan-2-one
SpectraBase Compound ID Ax1sJ0PXj1t
InChI InChI=1S/C12H18O2/c1-9(13)4-5-10-6-11(14)8-12(2,3)7-10/h6H,4-5,7-8H2,1-3H3
InChIKey MIIJCIDLPYXFBU-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yWKwgXw2Nd
Name 4-(5,5-Dimethyl-3-oxocyclohexenyl)butan-2-one
Alternate Name(s) 5,5-Dimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one 5,5-Dimethyl-3-(3-oxobutyl)-1-cyclohex-2-enone 5,5-Dimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one 5,5-Dimethyl-3-(3-oxidanylidenebutyl)cyclohex-2-en-1-one
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9(13)4-5-10-6-11(14)8-12(2,3)7-10/h6H,4-5,7-8H2,1-3H3
InChIKey MIIJCIDLPYXFBU-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)CCC(=O)C
SPLASH splash10-0002-5900000000-90561dcd9bdea95da49d
Source of Spectrum SO-0-1459-3
Wiley ID 875165