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5,7-Octadienal, 3,3,7-trimethyl-4-oxo-, (E)-

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

5,7-Octadienal, 3,3,7-trimethyl-4-oxo-, (E)-
SpectraBase Compound ID 2SJAzW0CCiV
InChI InChI=1S/C11H16O2/c1-9(2)5-6-10(13)11(3,4)7-8-12/h5-6,8H,1,7H2,2-4H3/b6-5+
InChIKey VLROLRWDBIPABZ-AATRIKPKSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KcVsMvAV9PD
Name 5,7-Octadienal, 3,3,7-trimethyl-4-oxo-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.115029753 u
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-9(2)5-6-10(13)11(3,4)7-8-12/h5-6,8H,1,7H2,2-4H3/b6-5+
InChIKey VLROLRWDBIPABZ-AATRIKPKSA-N
Molecular Weight 180.247 g/mol
SMILES C(\C=C\C(=C)C)(C(CC=O)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881887