| SpectraBase Spectrum ID |
LuNO5SYF92A |
| Name |
5-[(Dimethylamino)methylene]-3-phenyl-2,4-thiazolidinedione thiazolidinedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.061948806 u |
| Formula |
C12H12N2O2S |
| InChI |
InChI=1S/C12H12N2O2S/c1-13(2)8-10-11(15)14(12(16)17-10)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey |
VDVWOIQDIASKLD-UHFFFAOYSA-N |
| Molecular Weight |
248.300 g/mol |
| SMILES |
C=1C(=CC=CC1)N1C(C(SC1=O)=CN(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.943462 |
![5-[(Dimethylamino)methylene]-3-phenyl-2,4-thiazolidinedione thiazolidinedione](/api/spectrum/LuNO5SYF92A/structure.png?h=300&w=458 "5-[(Dimethylamino)methylene]-3-phenyl-2,4-thiazolidinedione thiazolidinedione")
