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2,4-Hexadienedioic acid, 3-methyl-4-propyl-, dimethyl ester, (Z,E)-
SpectraBase Compound ID EVlgkmYYAk9
InChI InChI=1S/C12H18O4/c1-5-6-10(8-12(14)16-4)9(2)7-11(13)15-3/h7-8H,5-6H2,1-4H3/b9-7+,10-8-
InChIKey PYVQIXWMRUGHCF-ZWOQCJTASA-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 Jt2AIT2E1WR
Name 2,4-Hexadienedioic acid, 3-methyl-4-propyl-, dimethyl ester, (Z,E)-
Alternate Name(s) Dimethyl (2E,4E)-3-methyl-4-propyl-2,4-hexadienedioate Dimethyl (2E,4Z)-3-methyl-4-propyl-2,4-hexadienedioate (2E,4Z)-3-methyl-4-propylhexa-2,4-dienedioic acid dimethyl ester Dimethyl (2E,4Z)-3-methyl-4-propylhexa-2,4-dienedioate Dimethyl (2E,4Z)-3-methyl-4-propyl-hexa-2,4-dienedioate
CAS Registry Number 69796-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-5-6-10(8-12(14)16-4)9(2)7-11(13)15-3/h7-8H,5-6H2,1-4H3/b9-7+,10-8-
InChIKey PYVQIXWMRUGHCF-ZWOQCJTASA-N
Molecular Weight 226.272 g/mol
SMILES CCC\C(=C\C(=O)OC)\C(C)=C\C(=O)OC
SPLASH splash10-014i-2900000000-eae3a390a6bdd7d812a1
Source of Spectrum W5-19088-0-0
Wiley ID 1227214