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(E)-5-(1-methyl-2,5-dioxocyclopentyl)-2-pentenoic acid methyl ester
SpectraBase Compound ID 2zKHkFpqOZ
InChI InChI=1S/C12H16O4/c1-12(9(13)6-7-10(12)14)8-4-3-5-11(15)16-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKey YKLWTPZFHBDQIO-HWKANZROSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkLjtR33YLD
Name (E)-5-(1-methyl-2,5-dioxocyclopentyl)-2-pentenoic acid methyl ester
Alternate Name(s) (E)-5-(2,5-diketo-1-methyl-cyclopentyl)pent-2-enoic acid methyl ester Methyl (E)-5-(1-methyl-2,5-dioxo-cyclopentyl)pent-2-enoate Methyl (E)-5-[1-methyl-2,5-bis(oxidanylidene)cyclopentyl]pent-2-enoate
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(9(13)6-7-10(12)14)8-4-3-5-11(15)16-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKey YKLWTPZFHBDQIO-HWKANZROSA-N
Molecular Weight 224.256 g/mol
SMILES C1(C(CCC1=O)=O)(CC\C=C\C(=O)OC)C
SPLASH splash10-043r-8900000000-42ddd82b27aa5992e92e
Source of Spectrum J-59-1439-12
Wiley ID 1225050