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5-Cyclohexylhexa-2,4-dienal
SpectraBase Compound ID Id8HXu8CRE
InChI InChI=1S/C12H18O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3
InChIKey WYJJUSWUROWXEZ-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 2Nk8wdoooCe
Name 5-Cyclohexylhexa-2,4-dienal
Appearance Yellow oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3
InChIKey WYJJUSWUROWXEZ-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 C1C(C(=CC=CC=O)C)CCCC1
SPLASH splash10-0002-9100000000-4b94d8a9ef1e219226eb
Sample Comments E/Z = 86:14
Source of Spectrum CCC-14-SM13-1g
Wiley ID 1876110