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2-[(4E)-hepta-4,6-dienyl]malonic acid diethyl ester
SpectraBase Compound ID 3HTBv49QvTg
InChI InChI=1S/C14H22O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3/b8-7+
InChIKey ZAJWAMURCKTXIS-BQYQJAHWSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ls48qJ0HsvN
Name 2-[(4E)-hepta-4,6-dienyl]malonic acid diethyl ester
Alternate Name(s) 2-[(4E)-hepta-4,6-dienyl]propanedioic acid diethyl ester Diethyl 2-[(4E)-hepta-4,6-dienyl]propanedioate
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Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3/b8-7+
InChIKey ZAJWAMURCKTXIS-BQYQJAHWSA-N
Molecular Weight 254.326 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCC\C=C\C=C
SPLASH splash10-001i-2910000000-443324a9111621ea227b
Source of Spectrum K1-2002-725-1
Wiley ID 1522132