| SpectraBase Spectrum ID |
55UTQzz33O8 |
| Name |
3-(Benzo[D][1,3]dioxol-5-yl)-2-(4-methylphenyl)thiazolidin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.077264518 u |
| Formula |
C17H15NO3S |
| InChI |
InChI=1S/C17H15NO3S/c1-11-2-4-12(5-3-11)17-18(16(19)9-22-17)13-6-7-14-15(8-13)21-10-20-14/h2-8,17H,9-10H2,1H3 |
| InChIKey |
CYGNBTKKULYDQC-UHFFFAOYSA-N |
| Molecular Weight |
313.371 g/mol |
| SMILES |
C1SC(C=2C=CC(=CC2)C)N(C=2C=C3OCOC3=CC2)C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820598 |