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3-Methyl-2-(3-oxobutyl)-6-[1-(methoxycarbonyl)ethenyl]cyclohexanone isomer
SpectraBase Compound ID CeMw9phSHXA
InChI InChI=1S/C15H22O4/c1-9-5-7-13(11(3)15(18)19-4)14(17)12(9)8-6-10(2)16/h9,12-13H,3,5-8H2,1-2,4H3
InChIKey BEBPWLVRNMUOKY-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBHcUhwxtxK
Name 3-Methyl-2-(3-oxobutyl)-6-[1-(methoxycarbonyl)ethenyl]cyclohexanone isomer
Alternate Name(s) 3-Methyl-2-(3-oxobutyl)-6-[1-(methoxycarbonyl)ethenyl]cyclohexanone Methyl 2-[4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]acrylate
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Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-9-5-7-13(11(3)15(18)19-4)14(17)12(9)8-6-10(2)16/h9,12-13H,3,5-8H2,1-2,4H3
InChIKey BEBPWLVRNMUOKY-UHFFFAOYSA-N
Molecular Weight 266.337 g/mol
SMILES C1(C(C(CCC1C(=C)C(=O)OC)C)CCC(C)=O)=O
SPLASH splash10-004j-0960000000-045a85de7ed6749739b3
Source of Spectrum K-2001-2427-16
Wiley ID 1579754