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6-Chloro-2-methyl-3-(o-tolyl)-4(3H)-quinazolinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

6-Chloro-2-methyl-3-(o-tolyl)-4(3H)-quinazolinone
SpectraBase Compound ID 6YKLLo5VAD5
InChI InChI=1S/C16H13ClN2O/c1-10-5-3-4-6-15(10)19-11(2)18-14-8-7-12(17)9-13(14)16(19)20/h3-9H,1-2H3
InChIKey SXEAMDBFQVJHOO-UHFFFAOYSA-N
Mol Weight 284.75 g/mol
Molecular Formula C16H13ClN2O
Exact Mass 284.071641 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CETFTG9JgR5
Name 6-Chloro-2-methyl-3-(o-tolyl)-4(3H)-quinazolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.071640746 u
Formula C16H13ClN2O
InChI InChI=1S/C16H13ClN2O/c1-10-5-3-4-6-15(10)19-11(2)18-14-8-7-12(17)9-13(14)16(19)20/h3-9H,1-2H3
InChIKey SXEAMDBFQVJHOO-UHFFFAOYSA-N
SMILES C1=C(Cl)C=CC2=C1C(=O)N(C1=C(C)C=CC=C1)C(C)=N2
Spectrum/Structure Validation Score (Raman) 0.721664