| SpectraBase Spectrum ID |
LuMqKUqfvEQ |
| Name |
Thiazolidin-4-one, 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.904353519 u |
| Formula |
C15H10BrCl2NOS |
| InChI |
InChI=1S/C15H10BrCl2NOS/c16-10-3-1-9(2-4-10)15-19(14(20)8-21-15)11-5-6-12(17)13(18)7-11/h1-7,15H,8H2 |
| InChIKey |
WRGQSXNAJBDKQK-UHFFFAOYSA-N |
| Molecular Weight |
403.121 g/mol |
| SMILES |
C1=CC(C2N(C3=CC(Cl)=C(C=C3)Cl)C(=O)CS2)=CC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911034 |
