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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 EfS1713aPcn
Name 2-(phenylethynyl)benzonitrile
Appearance Dark brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.073499294 u
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 Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 203.244 g/mol
Quality 212
SMILES C1=C(C(C#CC=2C=CC=CC2)=CC=C1)C#N
SPLASH splash10-0udi-0290000000-eafe51f56162fd9bcf4f
Source of Spectrum K1-2022-SM54-Table 3, entry 18 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898465