| SpectraBase Spectrum ID |
2Kmavm3HkCS |
| Name |
3-(2-Chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone, methyl derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.028061855 u |
| Formula |
C15H11ClN2OS |
| InChI |
InChI=1S/C15H11ClN2OS/c1-20-15-17-12-8-4-2-6-10(12)14(19)18(15)13-9-5-3-7-11(13)16/h2-9H,1H3 |
| InChIKey |
MWCNFMLOZTVGKQ-UHFFFAOYSA-N |
| Molecular Weight |
302.779 g/mol |
| SMILES |
C1(SC)=NC2=C(C=CC=C2)C(N1C1=C(C=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913574 |
