| SpectraBase Spectrum ID |
67V8rRaxeCB |
| Name |
(Z) 5-(3-Bromo-benzylidene)-3-(4-methyl-benzyl)-thiazolidine-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.992862867 u |
| Formula |
C18H14BrNO2S |
| InChI |
InChI=1S/C18H14BrNO2S/c1-12-5-7-13(8-6-12)11-20-17(21)16(23-18(20)22)10-14-3-2-4-15(19)9-14/h2-10H,11H2,1H3/b16-10- |
| InChIKey |
AFUUOJWTHUPYRZ-YBEGLDIGSA-N |
| Molecular Weight |
388.279 g/mol |
| SMILES |
C1(N(C(\C(S1)=C\C1=CC(Br)=CC=C1)=O)CC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866663 |
