| SpectraBase Spectrum ID |
JslGDUdV9P8 |
| Name |
3-(2-Chlorobenzyl)-6-phenyl-2-thioxo-1,3-thiazin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.004884057 u |
| Formula |
C17H12ClNOS2 |
| InChI |
InChI=1S/C17H12ClNOS2/c18-14-9-5-4-8-13(14)11-19-16(20)10-15(22-17(19)21)12-6-2-1-3-7-12/h1-10H,11H2 |
| InChIKey |
WUDYTPYQAFUNQB-UHFFFAOYSA-N |
| Molecular Weight |
345.862 g/mol |
| SMILES |
C1(N(C(C=C(S1)C=1C=CC=CC1)=O)CC=1C(Cl)=CC=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823477 |
