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4-((4-Methoxyphenyl)ethynyl)benzonitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

4-((4-Methoxyphenyl)ethynyl)benzonitrile
SpectraBase Compound ID BdOdqqmOPZm
InChI InChI=1S/C16H11NO/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-11H,1H3
InChIKey JZBSHULPFLMTGB-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C16H11NO
Exact Mass 233.084064 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5o6HGrIvrRe
Name Benzonitrile, 4-[2-(4-methoxyphenyl)ethynyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.084063977 u
Formula C16H11NO
InChI InChI=1S/C16H11NO/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-11H,1H3
InChIKey JZBSHULPFLMTGB-UHFFFAOYSA-N
Molecular Weight 233.270 g/mol
SMILES COC1=CC=C(C=C1)C#CC1=CC=C(C=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828206