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4-Methylhept-4-enal
SpectraBase Compound ID FzvLP9Sg80T
InChI InChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h5,7H,3-4,6H2,1-2H3
InChIKey IOMQQIPXIIKKDO-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qqcprvbBbw
Name 4-Methylhept-4-enal
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h5,7H,3-4,6H2,1-2H3
InChIKey IOMQQIPXIIKKDO-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 126.199 g/mol
SMILES CC(CCC=O)=CCC
SPLASH splash10-0api-9100000000-14a1c7f998d941d09abb
Sample Comments E/Z = 90:10
Source of Spectrum CCC-14-SM4-2b
Wiley ID 1876121