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(2E,4E)-3,4-diethylhexa-2,4-dienedioic acid dimethyl ester
SpectraBase Compound ID 3y5osA45PyP
InChI InChI=1S/C12H18O4/c1-5-9(7-11(13)15-3)10(6-2)8-12(14)16-4/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKey OJQOPKJGCNFXDW-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 DHpQ5mOamXK
Name (2E,4E)-3,4-diethylhexa-2,4-dienedioic acid dimethyl ester
CAS Registry Number 31545-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-5-9(7-11(13)15-3)10(6-2)8-12(14)16-4/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKey OJQOPKJGCNFXDW-FIFLTTCUSA-N
Molecular Weight 226.272 g/mol
SMILES CC\C(=C/C(=O)OC)\C(CC)=C\C(=O)OC
SPLASH splash10-014i-5900000000-9e3f216653504f692756
Source of Spectrum O-4-477-1
Synonyms 2,4-Hexadienedioic acid, 3,4-diethyl-, dimethyl ester, (E,Z)- (2E,4E)-3,4-diethylmuconic acid dimethyl ester 2,4-Hexadienedioic acid, 3,4-diethyl-, dimethyl ester, (Z,Z)- Dimethyl (2E,4E)-3,4-diethylhexa-2,4-dienedioate
Wiley ID 29928