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2-(3-Bromostyryl)-3-phenyl-4(3H)-quinazolinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-(3-Bromostyryl)-3-phenyl-4(3H)-quinazolinone
SpectraBase Compound ID EOtIpAE3FDf
InChI InChI=1S/C22H15BrN2O/c23-17-8-6-7-16(15-17)13-14-21-24-20-12-5-4-11-19(20)22(26)25(21)18-9-2-1-3-10-18/h1-15H/b14-13+
InChIKey MDVLCXJWGYTSRC-BUHFOSPRSA-N
Mol Weight 403.28 g/mol
Molecular Formula C22H15BrN2O
Exact Mass 402.036776 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JqGL0TuhWgB
Name 2-(3-Bromostyryl)-3-phenyl-4(3H)-quinazolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.036776110 u
Formula C22H15BrN2O
InChI InChI=1S/C22H15BrN2O/c23-17-8-6-7-16(15-17)13-14-21-24-20-12-5-4-11-19(20)22(26)25(21)18-9-2-1-3-10-18/h1-15H/b14-13+
InChIKey MDVLCXJWGYTSRC-BUHFOSPRSA-N
Molecular Weight 403.279 g/mol
SMILES C12=CC=CC=C2C(N(C(=N1)\C=C\C1=CC(=CC=C1)Br)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880257