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3-ACETYL-5,5-DIMETHYL-CYClOHEXANONE
SpectraBase Compound ID LH7WOmF1S3F
InChI InChI=1S/C10H16O2/c1-7(11)8-4-9(12)6-10(2,3)5-8/h8H,4-6H2,1-3H3
InChIKey CLFOUVRALSVXMZ-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bWxaQbNWi
Name 5-Acetyl-3,3-dimethyl-1-cyclohexanone
Alternate Name(s) 5-Acetyl-3,3-dimethyl-cyclohexanone 5-Acetyl-3,3-dimethylcyclohexan-1-one 5-Ethanoyl-3,3-dimethyl-cyclohexan-1-one
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Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7(11)8-4-9(12)6-10(2,3)5-8/h8H,4-6H2,1-3H3
InChIKey CLFOUVRALSVXMZ-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES C1(C(=O)C)CC(C)(C)CC(C1)=O
SPLASH splash10-0292-6900000000-1f2231c520d4fce03f13
Source of Spectrum B-48-1827-0
Wiley ID 1164947