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2-(Phenylethynyl)benzonitrile
SpectraBase Compound ID CGIgFM0e486
InChI InChI=1S/C15H9N/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9H
InChIKey OBWIZHHYPZTWPM-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C15H9N
Exact Mass 203.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrExUkddpjb
Name 2-(Phenylethynyl)benzonitrile
Appearance Yellow oil
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Formula C15H9N
InChI InChI=1S/C15H9N/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9H
InChIKey OBWIZHHYPZTWPM-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201902380
Molecular Weight 203.244 g/mol
Reported Formula C15H9N
SMILES c1cccc(c1C#Cc1ccccc1)C#N
SPLASH splash10-0udi-5490000000-e7efb625638bb14dba95
Source of Spectrum CCC-12-SM7-3fa
Wiley ID 1839853