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5-Cyclohexyl-4-methylpenta-2,4-dienal
SpectraBase Compound ID 3YPILAn8G18
InChI InChI=1S/C12H18O/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey SMZLEODIWAFEBV-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8onqFLuOxHJ
Name 5-Cyclohexyl-4-methylpenta-2,4-dienal
Appearance White solid
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey SMZLEODIWAFEBV-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 178.275 g/mol
Reported Formula C12H18O
SMILES C1CC(CCC1)C=C(C=CC=O)C
SPLASH splash10-0002-7900000000-9d86472be857e5df988b
Sample Comments E/Z = 93:7
Source of Spectrum CCC-14-SM13-1f
Wiley ID 1876109