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2-Acetyl-2-(3-ketobutyl)cyclohexanone
SpectraBase Compound ID 17PihpEjkfK
InChI InChI=1S/C12H18O3/c1-9(13)6-8-12(10(2)14)7-4-3-5-11(12)15/h3-8H2,1-2H3
InChIKey OAVJQSVKXVRMSR-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRlsUgktDZb
Name 2-Acetyl-2-(3-ketobutyl)cyclohexanone
Alternate Name(s) 2-Acetyl-2-(3-oxobutyl)-1-cyclohexanone 2-Acetyl-2-(3-oxobutyl)cyclohexan-1-one 2-Acetyl-2-(3-oxobutyl)cyclohexanone 2-Ethanoyl-2-(3-oxidanylidenebutyl)cyclohexan-1-one
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-9(13)6-8-12(10(2)14)7-4-3-5-11(12)15/h3-8H2,1-2H3
InChIKey OAVJQSVKXVRMSR-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(=O)CCCC1)(CCC(=O)C)C(=O)C
SPLASH splash10-03xr-1900000000-350e88b0307938e8ebab
Source of Spectrum K1-2000-703-4
Wiley ID 749809