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3-Phenyl-2-(phenylthio)quinazolin-4(3H)-one

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

3-Phenyl-2-(phenylthio)quinazolin-4(3H)-one
SpectraBase Compound ID IogEocdBDVw
InChI InChI=1S/C20H14N2OS/c23-19-17-13-7-8-14-18(17)21-20(24-16-11-5-2-6-12-16)22(19)15-9-3-1-4-10-15/h1-14H
InChIKey XPHJFVYPJYHLFE-UHFFFAOYSA-N
Mol Weight 330.41 g/mol
Molecular Formula C20H14N2OS
Exact Mass 330.082684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID hRKZq0FPTv
Name 3-Phenyl-2-(phenylthio)quinazolin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.082684252 u
Formula C20H14N2OS
InChI InChI=1S/C20H14N2OS/c23-19-17-13-7-8-14-18(17)21-20(24-16-11-5-2-6-12-16)22(19)15-9-3-1-4-10-15/h1-14H
InChIKey XPHJFVYPJYHLFE-UHFFFAOYSA-N
Molecular Weight 330.405 g/mol
SMILES C1=CC=C2C(=C1)N=C(SC1=CC=CC=C1)N(C1=CC=CC=C1)C2=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941818