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2-[1-(2-oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester
SpectraBase Compound ID 7Mtl1QRCPH2
InChI InChI=1S/C15H22O5/c1-4-10(9-11-7-5-6-8-12(11)16)13(14(17)19-2)15(18)20-3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKey COGMDNUOPLUUQU-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C15H22O5
Exact Mass 282.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkTAQxV4ufA
Name 2-[1-(2-oxocyclohexyl)but-3-en-2-yl]propanedioic acid dimethyl ester
Alternate Name(s) 2-[1-[(2-ketocyclohexyl)methyl]allyl]malonic acid dimethyl ester Dimethyl 2-[1-(2-oxidanylidenecyclohexyl)but-3-en-2-yl]propanedioate Dimethyl 2-[1-(2-oxocyclohexyl)but-3-en-2-yl]propanedioate Dimethyl 2-[1-[(2-oxocyclohexyl)methyl]allyl]propanedioate
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Formula C15H22O5
InChI InChI=1S/C15H22O5/c1-4-10(9-11-7-5-6-8-12(11)16)13(14(17)19-2)15(18)20-3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKey COGMDNUOPLUUQU-UHFFFAOYSA-N
Molecular Weight 282.336 g/mol
SMILES C(C(CC1C(=O)CCCC1)C=C)(C(=O)OC)C(=O)OC
SPLASH splash10-0002-9600000000-cad1ebc6be5bd7d6769f
Source of Spectrum J-60-4957-5
Wiley ID 1285826