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1-(4'-Methylphenyl)-2-butylnona-2,3-dien-1-one

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

1-(4'-Methylphenyl)-2-butylnona-2,3-dien-1-one
SpectraBase Compound ID E0TGDFlN81q
InChI InChI=1S/C20H28O/c1-4-6-8-9-10-12-18(11-7-5-2)20(21)19-15-13-17(3)14-16-19/h10,13-16H,4-9,11H2,1-3H3
InChIKey PIZZTGMFIYHBEE-UHFFFAOYSA-N
Mol Weight 284.44 g/mol
Molecular Formula C20H28O
Exact Mass 284.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2mt3FZrvAoj
Name 1-(4'-Methylphenyl)-2-butylnona-2,3-dien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.214015521 u
Formula C20H28O
InChI InChI=1S/C20H28O/c1-4-6-8-9-10-12-18(11-7-5-2)20(21)19-15-13-17(3)14-16-19/h10,13-16H,4-9,11H2,1-3H3
InChIKey PIZZTGMFIYHBEE-UHFFFAOYSA-N
SMILES C(C(=C=CCCCCC)CCCC)(=O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968629