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3-Benzyl-2-bromo-3H-quinazolin-4-one

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

3-Benzyl-2-bromo-3H-quinazolin-4-one
SpectraBase Compound ID 59T29tmzKFa
InChI InChI=1S/C15H11BrN2O/c16-15-17-13-9-5-4-8-12(13)14(19)18(15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey IXNCNQSYKWBWOH-UHFFFAOYSA-N
Mol Weight 315.17 g/mol
Molecular Formula C15H11BrN2O
Exact Mass 314.005476 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HgkF4ijSMMf
Name 3-Benzyl-2-bromo-3H-quinazolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.005475981 u
Formula C15H11BrN2O
InChI InChI=1S/C15H11BrN2O/c16-15-17-13-9-5-4-8-12(13)14(19)18(15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey IXNCNQSYKWBWOH-UHFFFAOYSA-N
Molecular Weight 315.170 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)CC=1C=CC=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931976