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2,6-Dimethyl-8-oxoocta-2,6-dienoic acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2,6-Dimethyl-8-oxoocta-2,6-dienoic acid, methyl ester
SpectraBase Compound ID 1S1oRUHEJ0R
InChI InChI=1S/C11H16O3/c1-9(7-8-12)5-4-6-10(2)11(13)14-3/h6-8H,4-5H2,1-3H3/b9-7-,10-6+
InChIKey CGWYUYIPFMWCKE-ODUODFHUSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B70h2M08DX3
Name 2,6-Dimethyl-8-oxoocta-2,6-dienoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.109944372 u
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-9(7-8-12)5-4-6-10(2)11(13)14-3/h6-8H,4-5H2,1-3H3/b9-7-,10-6+
InChIKey CGWYUYIPFMWCKE-ODUODFHUSA-N
Molecular Weight 196.246 g/mol
SMILES C\C(=C\C=O)CC\C=C/(C)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963388