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2,6-Dimethyl-4-heptanone
SpectraBase Compound ID 5jn2OmKSw7W
InChI InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey PTTPXKJBFFKCEK-UHFFFAOYSA-N
Mol Weight 142.24 g/mol
Molecular Formula C9H18O
Exact Mass 142.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQWxOmdIJDi
Name 4-Heptanone, 2,6-dimethyl-
Alternate Name(s) (iso-C4H9)2CO 2,6-Dimethyl-4-heptanone 2,6-Dimethyl-heptan-4-on 2,6-Dimethylheptan-4-one 2,6-Dimethylheptanone 2,6-Dimetil-eptan-4-one Di-isobutylcetone DIBK Diisobutilchetone Diisobutyl ketone Diisobutylketon Heptanone, 2,6-dimethyl-, 4- Isobutyl ketone Isovalerone s-Diisopropylacetone sec-diisopropyl acetone sym-Diisopropylacetone Valerone AI3-11270 BRN 1743163 CASWELL NO. 355B CCRIS 6233 EINECS 203-620-1 FEMA NO. 3537 HSDB 527 NSC 15136 UN1157
CAS Registry Number 108-83-8
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Formula C9H18O
InChI InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey PTTPXKJBFFKCEK-UHFFFAOYSA-N
Molecular Weight 142.242 g/mol
SMILES CC(CC(=O)CC(C)C)C
SPLASH splash10-0a4u-9000000000-bd7a46341e6b2dd478cd
Source of Spectrum EK-1999-658-0
Wiley ID 1141495