| SpectraBase Spectrum ID |
9tPDEH3iHWv |
| Name |
(Z) 3-(4-Methyl-benzyl)-5-(4-methyl-benzylidene)-thiazolidine-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.097999963 u |
| Formula |
C19H17NO2S |
| InChI |
InChI=1S/C19H17NO2S/c1-13-3-7-15(8-4-13)11-17-18(21)20(19(22)23-17)12-16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3/b17-11- |
| InChIKey |
XQAJPLCWBVEMOD-BOPFTXTBSA-N |
| Molecular Weight |
323.410 g/mol |
| SMILES |
C1(N(C(\C(S1)=C\C=1C=CC(=CC1)C)=O)CC1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824477 |
