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Butanedioic acid, 2,4-hexadienylidene-, dimethyl ester, (Z,E,E)-
SpectraBase Compound ID KcVugr3s1au
InChI InChI=1S/C12H16O4/c1-4-5-6-7-8-10(12(14)16-3)9-11(13)15-2/h4-8H,9H2,1-3H3/b5-4+,7-6-,10-8+
InChIKey CEIYKHJJFMMPFZ-QTBFHSIPSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41hz5xah3ST
Name Butanedioic acid, 2,4-hexadienylidene-, dimethyl ester, (Z,E,E)-
CAS Registry Number 58838-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-4-5-6-7-8-10(12(14)16-3)9-11(13)15-2/h4-8H,9H2,1-3H3/b5-4+,7-6-,10-8+
InChIKey CEIYKHJJFMMPFZ-QTBFHSIPSA-N
Molecular Weight 224.256 g/mol
SMILES C(\C(CC(=O)OC)=C\C=C/C=C/C)(=O)OC
SPLASH splash10-0a6r-6900000000-5474e94c8b71eb404fd3
Source of Spectrum C-98-1210-0
Synonyms Dimethyl (2E)-2-[(2Z,4E)-2,4-hexadienylidene]butanedioate Mixture of: methyl(Z,E,e)-3-carbmethoxy-3,5,7-nonatrienoate and(E,E,E)-isomer
Wiley ID 1224891