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3,5-Hexadienoic acid, 2,2,5-trimethyl-, ethyl ester, (E)-
SpectraBase Compound ID CQ3W0i74b2B
InChI InChI=1S/C11H18O2/c1-6-13-10(12)11(4,5)8-7-9(2)3/h7-8H,2,6H2,1,3-5H3/b8-7+
InChIKey WPCCXOQHEDUMPB-BQYQJAHWSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoY1LdIjqGg
Name 3,5-Hexadienoic acid, 2,2,5-trimethyl-, ethyl ester, (E)-
CAS Registry Number 80868-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-6-13-10(12)11(4,5)8-7-9(2)3/h7-8H,2,6H2,1,3-5H3/b8-7+
InChIKey WPCCXOQHEDUMPB-BQYQJAHWSA-N
Molecular Weight 182.263 g/mol
SMILES C(C(\C=C\C(=C)C)(C)C)(=O)OCC
SPLASH splash10-0a4i-5900000000-b603295029f3b0a59537
Source of Spectrum H-64-2595-0
Synonyms Ethyl (3E)-2,2,5-trimethyl-3,5-hexadienoate Ethyl (E)-2,5,5-trimethyl-3,5-hexadienoate
Wiley ID 1178623