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5-Cyclohexyl-4-methylpent-4-enal
SpectraBase Compound ID 4CLgzEvKx5m
InChI InChI=1S/C12H20O/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h9-10,12H,2-8H2,1H3
InChIKey WQJJOSYTCLAATP-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7428WMsH5j
Name 5-Cyclohexyl-4-methylpent-4-enal
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h9-10,12H,2-8H2,1H3
InChIKey WQJJOSYTCLAATP-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 180.291 g/mol
SMILES C1(C=C(CCC=O)C)CCCCC1
SPLASH splash10-0083-8900000000-5e288a2bf5efbfdab78e
Sample Comments E/Z = 98:2
Source of Spectrum CCC-14-SM5-2f
Wiley ID 1876125