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2-[(4-Methoxyphenyl)carbonyl]benzonitrile

View entire compound with spectra: 2 NMR, and 1 FTIR

2-[(4-Methoxyphenyl)carbonyl]benzonitrile
SpectraBase Compound ID LIDodHtmOwV
InChI InChI=1S/C15H11NO2/c1-18-13-8-6-11(7-9-13)15(17)14-5-3-2-4-12(14)10-16/h2-9H,1H3
InChIKey QAOUFVQLMFMIDR-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C15H11NO2
Exact Mass 237.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K5yosf8HyHG
Name 2-[(4-Methoxyphenyl)carbonyl]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.078978596 u
Formula C15H11NO2
InChI InChI=1S/C15H11NO2/c1-18-13-8-6-11(7-9-13)15(17)14-5-3-2-4-12(14)10-16/h2-9H,1H3
InChIKey QAOUFVQLMFMIDR-UHFFFAOYSA-N
Molecular Weight 237.258 g/mol
SMILES C1(=CC=CC=C1C#N)C(=O)C1=CC=C(OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822424