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Dimethyl 3-methylglutaconate, mixture of cis and trans
SpectraBase Compound ID K9Giaao1Y0t
InChI InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+
InChIKey GBQBEQOEGMZCOH-GQCTYLIASA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QcFzuKoIKS
Name Dimethyl (2E)-3-methyl-2-pentenedioate
Alternate Name(s) (E)-3-methyl-2-pentenedioic acid dimethyl ester (E)-3-methylpent-2-enedioic acid dimethyl ester 3-Methylglutakonic acid dimethyl ester Dimethyl (E)-3-methylpent-2-enedioate
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Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+
InChIKey GBQBEQOEGMZCOH-GQCTYLIASA-N
Molecular Weight 172.180 g/mol
SMILES COC(=O)C\C(C)=C\C(=O)OC
SPLASH splash10-08fu-9600000000-8bebbd7eb1d9e11833da
Wiley ID 1471288