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4-(Phenylethynyl)benzonitrile

View entire compound with spectra: 2 NMR, and 10 MS (GC)

4-(Phenylethynyl)benzonitrile
SpectraBase Compound ID 2Y7DZtgz4Ql
InChI InChI=1S/C15H9N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H
InChIKey JVUBQICKOVCBNM-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 K1gAaomsNKj
Name 4-(phenylethynyl)benzonitrile
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.073499294 u
Formula C15H9N
InChI InChI=1S/C15H9N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11H
InChIKey JVUBQICKOVCBNM-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7000D
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200009
Molecular Weight 203.244 g/mol
Quality 282
SMILES C1=CC(C#CC=2C=CC(=CC2)C#N)=CC=C1
SPLASH splash10-0udi-0290000000-7fe29978f3399b1248e4
Source of Spectrum K1-2022-SM33-Table 3, entry 4 (DOI: 10.1002/ejoc.202200009)
Wiley ID 1898471