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4-Methyl-5-phenylpenta-2,4-dienal
SpectraBase Compound ID 4EUESvy4l7Q
InChI InChI=1S/C12H12O/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey NMMYKIHZWBNDFW-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BON8mb8ipRJ
Name 4-Methyl-5-phenylpenta-2,4-dienal
Appearance Yellow solid
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-11(6-5-9-13)10-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey NMMYKIHZWBNDFW-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 172.227 g/mol
SMILES c1c(C=C(C=CC=O)C)cccc1
SPLASH splash10-004i-2900000000-94c0c6b6927427a1811f
Sample Comments E/Z > 99:1
Source of Spectrum CCC-14-SM15-1o
Wiley ID 1876117