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2-Phenyl-3-(p-tolyl)quinazolin-4-one

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

2-Phenyl-3-(p-tolyl)quinazolin-4-one
SpectraBase Compound ID 434ffRZL1sL
InChI InChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3
InChIKey QBGIEWLTLCNRED-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C21H16N2O
Exact Mass 312.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8DnDZiBEfAt
Name 2-Phenyl-3-(p-tolyl)quinazolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.126263142 u
Formula C21H16N2O
InChI InChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3
InChIKey QBGIEWLTLCNRED-UHFFFAOYSA-N
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)C1=CC=C(C=C1)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913623