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4,8,10-Undecatrien-2-one, 9-methyl-, (E,E)-

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

4,8,10-Undecatrien-2-one, 9-methyl-, (E,E)-
SpectraBase Compound ID 5rKq1onMWzk
InChI InChI=1S/C12H18O/c1-4-11(2)9-7-5-6-8-10-12(3)13/h4,6,8-9H,1,5,7,10H2,2-3H3/b8-6+,11-9+
InChIKey KMZJSSVHQQUKJG-ZOIFJEAISA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9kqeX9ShTK8
Name 4,8,10-Undecatrien-2-one, 9-methyl-, (E,E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-11(2)9-7-5-6-8-10-12(3)13/h4,6,8-9H,1,5,7,10H2,2-3H3/b8-6+,11-9+
InChIKey KMZJSSVHQQUKJG-ZOIFJEAISA-N
Molecular Weight 178.275 g/mol
SMILES C(\C(=C\CC\C=C\CC(=O)C)C)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969556