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4,4'-bis(Cyanomethyleneoxy)biphenyl

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

4,4'-bis(Cyanomethyleneoxy)biphenyl
SpectraBase Compound ID Aa9cFRWvsPI
InChI InChI=1S/C16H12N2O2/c17-9-11-19-15-5-1-13(2-6-15)14-3-7-16(8-4-14)20-12-10-18/h1-8H,11-12H2
InChIKey AAJPJKBDXQWICT-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C16H12N2O2
Exact Mass 264.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E3Hko1fQCaR
Name 4,4'-bis(Cyanomethyleneoxy)biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.089877632 u
Formula C16H12N2O2
InChI InChI=1S/C16H12N2O2/c17-9-11-19-15-5-1-13(2-6-15)14-3-7-16(8-4-14)20-12-10-18/h1-8H,11-12H2
InChIKey AAJPJKBDXQWICT-UHFFFAOYSA-N
Molecular Weight 264.284 g/mol
SMILES C(#N)COC=1C=CC(C2=CC=C(C=C2)OCC#N)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941235