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(2E,6E)-octa-2,6-dienedioic acid diethyl ester
SpectraBase Compound ID BebUZh92BDC
InChI InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+
InChIKey VTZHQBVCIAKCLX-FIFLTTCUSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnK0NKPMsC0
Name (2E,6E)-octa-2,6-dienedioic acid diethyl ester
Alternate Name(s) Diethyl (2E,6E)-2,6-octadienedioate Diethyl (2E,6E)-octa-2,6-dienedioate
CAS Registry Number 32829-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+
InChIKey VTZHQBVCIAKCLX-FIFLTTCUSA-N
Molecular Weight 226.272 g/mol
SMILES C(\C=C\CC\C=C\C(=O)OCC)(=O)OCC
SPLASH splash10-0pb9-9500000000-041ab92958ca322f30e1
Source of Spectrum I-68-500-8
Wiley ID 1227327