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5-Methyl-4-hexen-1-al
SpectraBase Compound ID 7EPwRKJeAMJ
InChI InChI=1S/C7H12O/c1-7(2)5-3-4-6-8/h5-6H,3-4H2,1-2H3
InChIKey FGQDVQHPEUMVJL-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSMMqvWV5mP
Name 5-methylhex-4-enal
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 112.088815005 u
Formula C7H12O
GC Column HP5-MS
InChI InChI=1S/C7H12O/c1-7(2)5-3-4-6-8/h5-6H,3-4H2,1-2H3
InChIKey FGQDVQHPEUMVJL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103049
Molecular Weight 112.172 g/mol
Quality 361
SMILES CC(=CCCC=O)C
SPLASH splash10-052f-9000000000-6e13859b35c51d15196d
Source of Spectrum QE-27-SM3-S4 (DOI: 10.1002/chem.202103049)
Thin-Layer Chromatography 0.28 (pentane/Et2O, 15:1)
Wiley ID 1904269