| SpectraBase Spectrum ID |
4yfpPIwwCCA |
| Name |
6,7-bis(Phenylthio)-5,8-quinolinediol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.054421073 u |
| Formula |
C21H15NO2S2 |
| InChI |
InChI=1S/C21H15NO2S2/c23-18-16-12-7-13-22-17(16)19(24)21(26-15-10-5-2-6-11-15)20(18)25-14-8-3-1-4-9-14/h1-13,23-24H |
| InChIKey |
JYSLBUMNGOECPF-UHFFFAOYSA-N |
| Molecular Weight |
377.476 g/mol |
| SMILES |
OC1=C(C(=C(C=2N=CC=CC12)O)SC=1C=CC=CC1)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.788116 |
