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(2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoic acid methyl ester

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

(2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoic acid methyl ester
SpectraBase Compound ID FG78LlyXRnX
InChI InChI=1S/C11H16O3/c1-9(7-11(13)14-3)5-4-6-10(2)8-12/h6-8H,4-5H2,1-3H3/b9-7+,10-6+
InChIKey DOQQQFDBYWJEPB-IDXDHNASSA-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 cwoTrs4CBI
Name (2E,6E)-3,7-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(7-11(13)14-3)5-4-6-10(2)8-12/h6-8H,4-5H2,1-3H3/b9-7+,10-6+
InChIKey DOQQQFDBYWJEPB-IDXDHNASSA-N
Molecular Weight 196.246 g/mol
SMILES C(\C=C\(CC\C=C\(C=O)C)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943867