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1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone
SpectraBase Compound ID HdcuXUY8LdR
InChI InChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h5-7H2,1-4H3
InChIKey JFWUBIJMEUTTNA-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqUFoF9Febq
Name 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone (D3)
Alternate Name(s) Ethanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (D3) 1-(2,6,6-Trimethyl-1-cyclohexenyl)ethanone (D3) 1-(2,6,6-Trimethylcyclohexen-1-yl)ethanone (D3) 2,6,6-Trimethyl-1-cyclohexenyl methyl ketone (D3)
CAS Registry Number 1197-92-8
Comments Note: The molecular formula of the structure shown is C11H18O - which differs from the formula reported for the mass spectrum (C11H15D3O)
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Formula C11H15D3O
InChI InChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h5-7H2,1-4H3
InChIKey JFWUBIJMEUTTNA-UHFFFAOYSA-N
Molecular Weight 166.264 g/mol
SMILES CC1(CCCC(C)=C1C(=O)C)C
SPLASH splash10-0fdk-9600000000-ab0e7c9601838239df2a
Wiley ID 1488575