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6-chloro-4-phenyl-2(1H)-quinazolinone

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

6-chloro-4-phenyl-2(1H)-quinazolinone
SpectraBase Compound ID JtwjEu2lMHT
InChI InChI=1S/C14H9ClN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKey DBKIXSRJBMRMMF-UHFFFAOYSA-N
Mol Weight 256.69 g/mol
Molecular Formula C14H9ClN2O
Exact Mass 256.040341 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HnZzL68bIkm
Name 6-Chloro-4-phenyl-2(1H)-quinazolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.040340617 u
Formula C14H9ClN2O
InChI InChI=1S/C14H9ClN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKey DBKIXSRJBMRMMF-UHFFFAOYSA-N
Molecular Weight 256.692 g/mol
SMILES N1C=2C=CC(=CC2C(=NC1=O)C=1C=CC=CC1)Cl
Spectrum/Structure Validation Score (Raman) 0.959221