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4-[2-(4-cyanophenyl)ethynyl]benzonitrile

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4-[2-(4-cyanophenyl)ethynyl]benzonitrile
SpectraBase Compound ID DyQwaRWd0y3
InChI InChI=1S/C16H8N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H
InChIKey RODZDHZWUDEBGU-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C16H8N2
Exact Mass 228.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQvedMAIlL2
Name 4-[2-(4-cyanophenyl)ethynyl]benzonitrile
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8N2
InChI InChI=1S/C16H8N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H
InChIKey RODZDHZWUDEBGU-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 228.254 g/mol
SMILES c1(C#Cc2ccc(cc2)C#N)ccc(cc1)C#N
SPLASH splash10-004i-0090000000-392fcb920a314039f3df
Source of Spectrum US20130144102A1
Wiley ID 1847713