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2-(Chloroethynyl)benzonitrile
SpectraBase Compound ID 8ZPlI0Nzbg4
InChI InChI=1S/C9H4ClN/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H
InChIKey GITZMVGOSJSMLD-UHFFFAOYSA-N
Mol Weight 161.59 g/mol
Molecular Formula C9H4ClN
Exact Mass 161.003227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mQk5emxGzB
Name 2-(Chloroethynyl)benzonitrile
CAS Registry Number 87954-05-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4ClN
InChI InChI=1S/C9H4ClN/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H
InChIKey GITZMVGOSJSMLD-UHFFFAOYSA-N
Molecular Weight 161.591 g/mol
SMILES C(#CCl)c1c(C#N)cccc1
SPLASH splash10-03di-0900000000-31dd488387fa50c6cf95
Source of Spectrum J-49-294-0
Synonyms 2-(2-Chloranylethynyl)benzenecarbonitrile
Wiley ID 1157642