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1,3-Heptadiene-1,2,6,6-tetracarboxylic acid, 5-(1-propenyl)-, 6,6-diethyl 1,2-dimethyl ester, (E,E,E)-
SpectraBase Compound ID 5su3FhW6RQP
InChI InChI=1S/C20H28O8/c1-7-10-15(12-11-14(17(22)26-6)13-16(21)25-5)20(4,18(23)27-8-2)19(24)28-9-3/h7,10-13,15H,8-9H2,1-6H3/b10-7+,12-11+,14-13+
InChIKey VXUBEZBHFCHMSQ-VPMYGNLMSA-N
Mol Weight 396.44 g/mol
Molecular Formula C20H28O8
Exact Mass 396.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbBpkCYJuew
Name 1,3-Heptadiene-1,2,6,6-tetracarboxylic acid, 5-(1-propenyl)-, 6,6-diethyl 1,2-dimethyl ester, (E,E,E)-
CAS Registry Number 58838-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O8
InChI InChI=1S/C20H28O8/c1-7-10-15(12-11-14(17(22)26-6)13-16(21)25-5)20(4,18(23)27-8-2)19(24)28-9-3/h7,10-13,15H,8-9H2,1-6H3/b10-7+,12-11+,14-13+
InChIKey VXUBEZBHFCHMSQ-VPMYGNLMSA-N
Molecular Weight 396.436 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(C(\C=C\C(=C/C(=O)OC)C(=O)OC)\C=C\C)C
SPLASH splash10-0903-5914000000-a0f8f84483e95c64b216
Source of Spectrum C-98-1211-0
Synonyms 6,6-Diethyl 1,2-dimethyl (1E,3E)-5-[(1E)-1-propenyl]-1,3-heptadiene-1,2,6,6-tetracarboxylate Methyl(E,E,E)-3-carbomethoxy-6-(1',1'-dicarboethoxyethyl)-2,4,7-nonatrienoate
Wiley ID 1367381