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(E)-5-(1-methyl-2,6-dioxocyclohexyl)-2-pentenoic acid methyl ester
SpectraBase Compound ID 1LY9naPrT2T
InChI InChI=1S/C13H18O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8H,4-7,9H2,1-2H3/b8-3+
InChIKey VICWNKHKILNAGR-FPYGCLRLSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4w1rFlQaSHq
Name (E)-5-(1-methyl-2,6-dioxocyclohexyl)-2-pentenoic acid methyl ester
Alternate Name(s) (E)-5-(2,6-diketo-1-methyl-cyclohexyl)pent-2-enoic acid methyl ester Methyl (E)-5-(1-methyl-2,6-dioxo-cyclohexyl)pent-2-enoate Methyl (E)-5-[1-methyl-2,6-bis(oxidanylidene)cyclohexyl]pent-2-enoate
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8H,4-7,9H2,1-2H3/b8-3+
InChIKey VICWNKHKILNAGR-FPYGCLRLSA-N
Molecular Weight 238.283 g/mol
SMILES C1(C(=O)CCCC1=O)(CC\C=C\C(=O)OC)C
SPLASH splash10-03di-9800000000-4199458f494df644710b
Source of Spectrum QC-17-1659-5
Wiley ID 1638288