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(E)-4-Methyl-5-(p-tolyl)pent-4-enal
SpectraBase Compound ID E7dKVINfWTC
InChI InChI=1S/C13H16O/c1-11-5-7-13(8-6-11)10-12(2)4-3-9-14/h5-10H,3-4H2,1-2H3/b12-10+
InChIKey LBKHGAIELUNYML-ZRDIBKRKSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwGmeYCJVZZ
Name (E)-4-Methyl-5-(p-tolyl)pent-4-enal
Appearance Colorless oil
Carrier Gas Hydrogen
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Formula C13H16O
InChI InChI=1S/C13H16O/c1-11-5-7-13(8-6-11)10-12(2)4-3-9-14/h5-10H,3-4H2,1-2H3/b12-10+
InChIKey LBKHGAIELUNYML-ZRDIBKRKSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 188.270 g/mol
Reported Formula C13H16O
SMILES C\C(CCC=O)=C/c1ccc(cc1)C
SPLASH splash10-0aps-1900000000-b99db479d09d55669fb7
Source of Spectrum CCC-14-SM3-2a
Wiley ID 1876120