| SpectraBase Spectrum ID |
CG6f9VBylfN |
| Name |
3-(p-Chlorobenzyl)-2-(methylthio)-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.043711920 u |
| Formula |
C16H13ClN2OS |
| InChI |
InChI=1S/C16H13ClN2OS/c1-21-16-18-14-5-3-2-4-13(14)15(20)19(16)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3 |
| InChIKey |
WOYVGVIVMYKXNM-UHFFFAOYSA-N |
| Molecular Weight |
316.806 g/mol |
| SMILES |
C1=CC=CC2=C1C(=O)N(C(=N2)SC)CC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.941573 |
