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5-Methyl-7-phenylhept-4-enal
SpectraBase Compound ID AaLDx78V5bb
InChI InChI=1S/C14H18O/c1-13(7-5-6-12-15)10-11-14-8-3-2-4-9-14/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKey XIJUEIITTDPHMT-UHFFFAOYSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aJXTUoejO3
Name 5-Methyl-7-phenylhept-4-enal
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-13(7-5-6-12-15)10-11-14-8-3-2-4-9-14/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKey XIJUEIITTDPHMT-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 202.297 g/mol
SMILES c1cc(ccc1)CCC(=CCCC=O)C
SPLASH splash10-0006-9100000000-6bbc1af73a098acc2cbb
Sample Comments E/Z = 41:59
Source of Spectrum CCC-14-SM7-2k
Thin-Layer Chromatography Rf = 0.68 (CH2Cl2)
Wiley ID 1876130