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2-[(E)-hex-4-enyl]malonic acid diethyl ester
SpectraBase Compound ID 6B5pem1RfK6
InChI InChI=1S/C13H22O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h4,7,11H,5-6,8-10H2,1-3H3/b7-4+
InChIKey JCRXKPPOUPLGOS-QPJJXVBHSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jsg27TJsA5w
Name 2-[(E)-hex-4-enyl]malonic acid diethyl ester
Alternate Name(s) 2-[(E)-hex-4-enyl]propanedioic acid diethyl ester Diethyl 2-[(E)-hex-4-enyl]propanedioate
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h4,7,11H,5-6,8-10H2,1-3H3/b7-4+
InChIKey JCRXKPPOUPLGOS-QPJJXVBHSA-N
Molecular Weight 242.315 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCC\C=C\C
SPLASH splash10-00di-2900000000-b08095575b586e7bb33c
Source of Spectrum K1-2001-3346-12
Wiley ID 814444