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(4E)-4-Heptenal
SpectraBase Compound ID JZS4sym7JAb
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3+
InChIKey VVGOCOMZRGWHPI-ONEGZZNKSA-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 GOrsZAsYxQ0
Name 4-HEPTENAL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3+
InChIKey VVGOCOMZRGWHPI-ONEGZZNKSA-N
Instrument Name CH4
Molecular Weight 112.0885
SMILES CC\C=C\CCC=O
SPLASH splash10-014i-9000000000-dcd23afa94d4d69361a3
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany