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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 KpRBgoEBOs0
Name (4E)-4-Heptenal
CAS Registry Number 62238-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 112.172 g/mol
SMILES C(=O)CC\C=C\CC
SPLASH splash10-014i-9000000000-77f80fc7309eaed0c739
Source of Spectrum HE-1982-0-0
Synonyms (E)-4-Heptenal (E)-HEPT-4-ENAL 4-Heptenal 4-Heptenal, (E)- Hept-trans-4-enal trans-4-Heptenal EINECS 213-198-0
Wiley ID 1123300