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5,5-Dimethyl-4-propyl-1,3-cyclohexanedione
SpectraBase Compound ID EWRfIiTAXOO
InChI InChI=1S/C11H18O2/c1-4-5-9-10(13)6-8(12)7-11(9,2)3/h9H,4-7H2,1-3H3
InChIKey JXCLORUMNNQWFV-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KX1OS2lhUtl
Name 5,5-Dimethyl-4-propyl-1,3-cyclohexanedione
Alternate Name(s) 5,5-Dimethyl-4-propyl-cyclohexane-1,3-dione 5,5-Dimethyl-4-propyl-cyclohexane-1,3-quinone
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Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-4-5-9-10(13)6-8(12)7-11(9,2)3/h9H,4-7H2,1-3H3
InChIKey JXCLORUMNNQWFV-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C1(CC(C(C(C1)(C)C)CCC)=O)=O
SPLASH splash10-004i-0900000000-b97d0c6b86950dfb2794
Source of Spectrum SO-0-478-2
Wiley ID 1538905