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2-Hexenedioic acid, 5-ethylidene-, dimethyl ester
SpectraBase Compound ID JfQfiXjA4FQ
InChI InChI=1S/C10H14O4/c1-4-8(10(12)14-3)6-5-7-9(11)13-2/h4-5,7H,6H2,1-3H3/b7-5+,8-4+
InChIKey IUYHDPXAKJWHPI-JBVHCYJISA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhqaWMQQ2dG
Name 2-Hexenedioic acid, 5-ethylidene-, dimethyl ester
Alternate Name(s) Dimethyl (2E,5E)-5-ethylidene-2-hexenedioate Methyl 5-carbomethoxy-2,5-heptadienoate
CAS Registry Number 86834-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-4-8(10(12)14-3)6-5-7-9(11)13-2/h4-5,7H,6H2,1-3H3/b7-5+,8-4+
InChIKey IUYHDPXAKJWHPI-JBVHCYJISA-N
Molecular Weight 198.218 g/mol
SMILES C(\C(=C\C)C\C=C\C(=O)OC)(=O)OC
SPLASH splash10-05r0-4900000000-19ea1cbb99b7e565fc49
Source of Spectrum J-48-3556-0
Wiley ID 1195150