| SpectraBase Spectrum ID |
6BdXa5yszrP |
| Name |
3,3'-(p-Nitrobenzylidene)bis[4-hydroxy-1-thiocoumarin] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.034079549 u |
| Formula |
C25H15NO6S2 |
| InChI |
InChI=1S/C25H15NO6S2/c27-22-15-5-1-3-7-17(15)33-24(29)20(22)19(13-9-11-14(12-10-13)26(31)32)21-23(28)16-6-2-4-8-18(16)34-25(21)30/h1-12,19,27-28H |
| InChIKey |
CFKNJYXXTXVLEE-UHFFFAOYSA-N |
| Molecular Weight |
489.516 g/mol |
| SMILES |
OC=1C=2C=CC=CC2SC(C1C(C=1C(SC=2C=CC=CC2C1O)=O)C=1C=CC(=CC1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.910154 |
![3,3'-(p-Nitrobenzylidene)bis[4-hydroxy-1-thiocoumarin]](/api/spectrum/6BdXa5yszrP/structure.png?h=300&w=458 "3,3'-(p-Nitrobenzylidene)bis[4-hydroxy-1-thiocoumarin]")
