For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,5-Hexadienoic acid, 2-acetyl-3-methyl-, ethyl ester
SpectraBase Compound ID CrDrtPlegdg
InChI InChI=1S/C11H16O3/c1-5-7-8(3)10(9(4)12)11(13)14-6-2/h7-8,10H,1,6H2,2-4H3
InChIKey GYPQJKXBGPOALA-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4smru7AtgDz
Name 4,5-Hexadienoic acid, 2-acetyl-3-methyl-, ethyl ester
CAS Registry Number 114707-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-5-7-8(3)10(9(4)12)11(13)14-6-2/h7-8,10H,1,6H2,2-4H3
InChIKey GYPQJKXBGPOALA-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C(C(=O)OCC)(C(=O)C)C(C=C=C)C
SPLASH splash10-00r6-9700000000-b1d71e3ea24b1c71a0d8
Source of Spectrum F-43-3450-8
Synonyms Ethyl 2-acetyl-3-methyl-4,5-hexadienoate Ethyl 2-acetyl-3-methyl-hexa-4,5-dienoate
Wiley ID 1193155