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Pentadienal, 2-methyl-
SpectraBase Compound ID JNk4uLXv6tk
InChI InChI=1S/C6H8O/c1-3-4-6(2)5-7/h3-5H,1H2,2H3/b6-4+
InChIKey GPOYSKDINJWXAG-GQCTYLIASA-N
Mol Weight 96.13 g/mol
Molecular Formula C6H8O
Exact Mass 96.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJayu4Kytga
Name (E)-2-Methyl-2,4-pentadienal
Appearance Colorless liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O
InChI InChI=1S/C6H8O/c1-3-4-6(2)5-7/h3-5H,1H2,2H3/b6-4+
InChIKey GPOYSKDINJWXAG-GQCTYLIASA-N
Instrument Name HP 6890/ MSD 5973 & HP 7890A/MSD 5975
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00145
Molecular Weight 96.129 g/mol
SMILES C\C(C=O)=C/C=C
SPLASH splash10-014j-9000000000-c9fa181d3031cbc371b2
Sample Comments E/Z = 93:7
Source of Spectrum JOC-86-5252-16
Wiley ID 1870188