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5-Methyl-7-phenylhepta-2,4-dienal
SpectraBase Compound ID Iu5qWq9c8lv
InChI InChI=1S/C14H16O/c1-13(7-5-6-12-15)10-11-14-8-3-2-4-9-14/h2-9,12H,10-11H2,1H3
InChIKey POQWMTBBBBJTRZ-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C14H16O
Exact Mass 200.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID whCdOjCDJ
Name 5-Methyl-7-phenylhepta-2,4-dienal
Appearance Yellow oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O
InChI InChI=1S/C14H16O/c1-13(7-5-6-12-15)10-11-14-8-3-2-4-9-14/h2-9,12H,10-11H2,1H3
InChIKey POQWMTBBBBJTRZ-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 200.281 g/mol
Reported Formula C14H16O
SMILES c1cc(ccc1)CCC(=CC=CC=O)C
SPLASH splash10-0006-9000000000-f38260dd9bd7d948d65d
Sample Comments (2E,4E)/(2E,4Z) = 41:59
Source of Spectrum CCC-14-SM14-1k
Wiley ID 1876114