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2,4-Octadienoic acid, 2-acetyl-, ethyl ester, (E,E)-
SpectraBase Compound ID CswfaHWF5ZH
InChI InChI=1S/C12H18O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h7-9H,4-6H2,1-3H3/b8-7+,11-9+
InChIKey MYHIRYBFJNNHCK-MFDVASPDSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJLjwKTaRYL
Name 2,4-Octadienoic acid, 2-acetyl-, ethyl ester, (E,E)-
CAS Registry Number 80387-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h7-9H,4-6H2,1-3H3/b8-7+,11-9+
InChIKey MYHIRYBFJNNHCK-MFDVASPDSA-N
Molecular Weight 210.273 g/mol
SMILES C(\C(C(=O)C)=C\C=C\CCC)(=O)OCC
SPLASH splash10-0udi-0900000000-d20aeb63f97ddc7d77c9
Source of Spectrum J-47-1106-0
Synonyms Ethyl (2E,4E)-2-acetyl-2,4-octadienoate
Wiley ID 1209116