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4-Allyl-2-(3'-oxobutyl)-1,3-cyclohexadione
SpectraBase Compound ID 2ASDAhtYkMi
InChI InChI=1S/C13H18O3/c1-3-4-10-6-8-12(15)11(13(10)16)7-5-9(2)14/h3,10,16H,1,4-8H2,2H3
InChIKey CNHDMPPLRKPPNR-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hj6vfBI0zCX
Name 4-Allyl-2-(3'-oxobutyl)-1,3-cyclohexadione
Alternate Name(s) 4-Allyl-2-(3-oxobutyl)-1,3-cyclohexanedione 4-Allyl-3-hydroxy-2-(3-oxo-butyl)-cyclohex-2-enone 3-Hydroxy-2-(3-oxobutyl)-4-prop-2-enyl-1-cyclohex-2-enone 3-Hydroxy-2-(3-oxobutyl)-4-prop-2-enylcyclohex-2-en-1-one 4-Allyl-3-hydroxy-2-(3-oxobutyl)cyclohex-2-en-1-one 3-Oxidanyl-2-(3-oxidanylidenebutyl)-4-prop-2-enyl-cyclohex-2-en-1-one
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-4-10-6-8-12(15)11(13(10)16)7-5-9(2)14/h3,10,16H,1,4-8H2,2H3
InChIKey CNHDMPPLRKPPNR-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC1=C(C(CCC1CC=C)=O)CCC(=O)C
SPLASH splash10-0pb9-6960000000-fa1c967bd9d67e8f5dbe
Source of Spectrum SK-26-953-10
Wiley ID 867125