| SpectraBase Spectrum ID |
6kOdOsREcOT |
| Name |
3-(5-Chloro-o-tolyl)-2-methyl-4(3H)-quinazolinone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.048318478 u |
| Formula |
C16H14Cl2N2O |
| InChI |
InChI=1S/C16H13ClN2O.ClH/c1-10-7-8-12(17)9-15(10)19-11(2)18-14-6-4-3-5-13(14)16(19)20;/h3-9H,1-2H3;1H |
| InChIKey |
OGQNWLHXZYMXQE-UHFFFAOYSA-N |
| SMILES |
C1(=O)C=2C=CC=CC2N=C(C)N1C1=C(C)C=CC(=C1)Cl.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.862722 |
