| SpectraBase Spectrum ID |
F5phbUGWqJc |
| Name |
6,7-bis(p-Tolylthio)-5,8-quinolinediol, dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
613.138150697 u |
| Formula |
C37H27NO4S2 |
| InChI |
InChI=1S/C37H27NO4S2/c1-24-15-19-28(20-16-24)43-34-32(41-36(39)26-10-5-3-6-11-26)30-14-9-23-38-31(30)33(42-37(40)27-12-7-4-8-13-27)35(34)44-29-21-17-25(2)18-22-29/h3-23H,1-2H3 |
| InChIKey |
SDCNSINMZYBTNP-UHFFFAOYSA-N |
| Molecular Weight |
613.746 g/mol |
| SMILES |
C=12C=CC=NC1C(=C(C(=C2OC(=O)C=1C=CC=CC1)SC=1C=CC(=CC1)C)SC=1C=CC(=CC1)C)OC(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.965039 |
