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3-Benzylquinazoline-2,4-dione

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

3-Benzylquinazoline-2,4-dione
SpectraBase Compound ID CnsPCif2LBg
InChI InChI=1S/C15H12N2O2/c18-14-12-8-4-5-9-13(12)16-15(19)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)
InChIKey NIFRUOQEJBOLBI-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C15H12N2O2
Exact Mass 252.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FURalb8URpu
Name 3-Benzylquinazoline-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.089877632 u
Formula C15H12N2O2
InChI InChI=1S/C15H12N2O2/c18-14-12-8-4-5-9-13(12)16-15(19)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)
InChIKey NIFRUOQEJBOLBI-UHFFFAOYSA-N
Molecular Weight 252.273 g/mol
SMILES C1(NC=2C=CC=CC2C(N1CC=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947384