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Dimethyl (E)-4-acetyl-3-(methoxycarbonyl)-2-hexenedioate
SpectraBase Compound ID 4uom1bxlVwT
InChI InChI=1S/C12H16O7/c1-7(13)8(5-10(14)17-2)9(12(16)19-4)6-11(15)18-3/h6,8H,5H2,1-4H3/b9-6+
InChIKey XFFWFLDTOAYDQG-RMKNXTFCSA-N
Mol Weight 272.25 g/mol
Molecular Formula C12H16O7
Exact Mass 272.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENkjYn2d9Pu
Name Dimethyl (E)-4-acetyl-3-(methoxycarbonyl)-2-hexenedioate
Alternate Name(s) Trimethyl (1E)-3-acetyl-1-butene-1,2,4-tricarboxylate
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Formula C12H16O7
InChI InChI=1S/C12H16O7/c1-7(13)8(5-10(14)17-2)9(12(16)19-4)6-11(15)18-3/h6,8H,5H2,1-4H3/b9-6+
InChIKey XFFWFLDTOAYDQG-RMKNXTFCSA-N
Molecular Weight 272.253 g/mol
SMILES C(\C(=C/C(=O)OC)C(=O)OC)(C(=O)C)CC(=O)OC
SPLASH splash10-00kg-7900000000-85d3388cf7a1dd9ea833
Source of Spectrum F-52-1042-9
Wiley ID 794699