| SpectraBase Spectrum ID |
KGJLd7DnG05 |
| Name |
2-[3-(4-Chlorobenzyl)4-hydroxy-4-phenyl-2-thioxo-1,3-thiazolan-5-yliden]-1-phenyl-1-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.046748870 u |
| Formula |
C24H18ClNO2S2 |
| InChI |
InChI=1S/C24H18ClNO2S2/c25-20-13-11-17(12-14-20)16-26-23(29)30-22(15-21(27)18-7-3-1-4-8-18)24(26,28)19-9-5-2-6-10-19/h1-15,28H,16H2/b22-15- |
| InChIKey |
VDWHCQKQTQZPQF-JCMHNJIXSA-N |
| Molecular Weight |
451.986 g/mol |
| SMILES |
C1(N(C(\C(S1)=C\C(=O)C=1C=CC=CC1)(C1=CC=CC=C1)O)CC1=CC=C(C=C1)Cl)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906485 |
![2-[3-(4-Chlorobenzyl)-4-hydroxy-4-phenyl-2-thioxo-1,3-thiazolan-5-yliden]-1-phenyl-1-ethanone](/api/spectrum/KGJLd7DnG05/structure.png?h=300&w=458 "2-[3-(4-Chlorobenzyl)-4-hydroxy-4-phenyl-2-thioxo-1,3-thiazolan-5-yliden]-1-phenyl-1-ethanone")
