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2,4-Hexadienedioic acid, 3-methyl-4-propyl-, dimethyl ester, (E,E)-
SpectraBase Compound ID 5WjYPFITOPM
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-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 CZmzuSz6Cd5
Name 2,4-Hexadienedioic acid, 3-methyl-4-propyl-, dimethyl ester, (E,E)-
CAS Registry Number 58367-43-4
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-FIFLTTCUSA-N
Molecular Weight 226.272 g/mol
SMILES CCC\C(=C/C(=O)OC)\C(C)=C\C(=O)OC
SPLASH splash10-014l-3900000000-539451a9bf36c671f961
Source of Spectrum W5-19084-0-0
Synonyms Dimethyl (2E,4E)-3-methyl-4-propyl-2,4-hexadienedioate (2E,4E)-3-methyl-4-propyl-muconic acid dimethyl ester (2E,4E)-3-methyl-4-propylhexa-2,4-dienedioic acid dimethyl ester 2,4-Hexadienedioic acid, 3-methyl-4-propyl-, dimethyl ester, (E,Z)- 2,4-Hexadienedioic acid, 3-methyl-4-propyl-, dimethyl ester, (Z,E)- Dimethyl (2E,4E)-3-methyl-4-propyl-hexa-2,4-dienedioate
Wiley ID 1227216