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2-[(E)-4-acetoxybut-2-enyl]malonic acid diethyl ester
SpectraBase Compound ID 8OnUqPw35FC
InChI InChI=1S/C13H20O6/c1-4-17-12(15)11(13(16)18-5-2)8-6-7-9-19-10(3)14/h6-7,11H,4-5,8-9H2,1-3H3/b7-6+
InChIKey DYSGRMNTIYAVPG-VOTSOKGWSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVwSaDGJ6UX
Name 2-[(E)-4-acetoxybut-2-enyl]malonic acid diethyl ester
Alternate Name(s) 2-[(E)-4-acetyloxybut-2-enyl]propanedioic acid diethyl ester Diethyl 2-[(E)-4-acetoxybut-2-enyl]propanedioate Diethyl 2-[(E)-4-acetyloxybut-2-enyl]propanedioate
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Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-4-17-12(15)11(13(16)18-5-2)8-6-7-9-19-10(3)14/h6-7,11H,4-5,8-9H2,1-3H3/b7-6+
InChIKey DYSGRMNTIYAVPG-VOTSOKGWSA-N
Molecular Weight 272.297 g/mol
SMILES C(C(C(=O)OCC)C\C=C\COC(=O)C)(=O)OCC
SPLASH splash10-03di-0930000000-3dfdca1e5fdc435f0665
Source of Spectrum J-64-2965-3
Wiley ID 1530039