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4-(p-tolylethynyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(p-tolylethynyl)benzonitrile
SpectraBase Compound ID F8qgbUa1OJi
InChI InChI=1S/C16H11N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-5,8-11H,1H3
InChIKey VOVVWXDKQIHWIA-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C16H11N
Exact Mass 217.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d4W4V41fFu
Name 4-(p-tolylethynyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N
InChI InChI=1S/C16H11N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-5,8-11H,1H3
InChIKey VOVVWXDKQIHWIA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 217.271 g/mol
SMILES C(c1ccc(cc1)C#Cc1ccc(cc1)C)#N
SPLASH splash10-014i-0190000000-90c6d210482eb58fa741
Source of Spectrum CSS-7-89/SM15-3fc
Wiley ID 1801098