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2-Heptenal, 2-chloro-6-oxo-, (E)-
SpectraBase Compound ID G93DdwUGUnI
InChI InChI=1S/C7H9ClO2/c1-6(10)3-2-4-7(8)5-9/h4-5H,2-3H2,1H3/b7-4+
InChIKey AGVVQXSPYHAPEH-QPJJXVBHSA-N
Mol Weight 160.6 g/mol
Molecular Formula C7H9ClO2
Exact Mass 160.029107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJaSz4I9ZFi
Name 2-Heptenal, 2-chloro-6-oxo-, (E)-
CAS Registry Number 68200-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9ClO2
InChI InChI=1S/C7H9ClO2/c1-6(10)3-2-4-7(8)5-9/h4-5H,2-3H2,1H3/b7-4+
InChIKey AGVVQXSPYHAPEH-QPJJXVBHSA-N
Molecular Weight 160.600 g/mol
SMILES C(\C=C/(C=O)Cl)CC(=O)C
SPLASH splash10-0006-9100000000-78a027c896d49ecede56
Source of Spectrum J-44-448-0
Synonyms (2E)-2-chloro-6-oxo-2-heptenal (E)-2-Chloro-6-keto-2-heptenal (E)-2-chloro-6-oxo-2-heptenal (E)-2-chloro-6-oxohept-2-enal (E)-2-chloro-6-oxo-hept-2-enal (E)-2-chloranyl-6-oxidanylidene-hept-2-enal
Wiley ID 1156477