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2-(2-((4-Chlorophenyl)ethynyl)phenyl)acetonitrile
SpectraBase Compound ID 4LRiieN55tJ
InChI InChI=1S/C16H10ClN/c17-16-9-6-13(7-10-16)5-8-14-3-1-2-4-15(14)11-12-18/h1-4,6-7,9-10H,11H2
InChIKey HPMYGONBMXGAOR-UHFFFAOYSA-N
Mol Weight 251.72 g/mol
Molecular Formula C16H10ClN
Exact Mass 251.050177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVAx7qblHuP
Name 2-(2-((4-Chlorophenyl)ethynyl)phenyl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClN
InChI InChI=1S/C16H10ClN/c17-16-9-6-13(7-10-16)5-8-14-3-1-2-4-15(14)11-12-18/h1-4,6-7,9-10H,11H2
InChIKey HPMYGONBMXGAOR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo100460v
Molecular Weight 251.716 g/mol
SMILES c1cc(c(C#Cc2ccc(cc2)Cl)cc1)CC#N
SPLASH splash10-0uxr-0190000000-3a437354fac7967a043f
Source of Spectrum J-75-3518/SMS3-3a
Synonyms 2-[2-[2-(4-Chlorophenyl)ethynyl]phenyl]ethanenitrile
Wiley ID 1751611