| SpectraBase Spectrum ID |
DSyIUbunBZ2 |
| Name |
4,5-bis(p-Acetoxybenzylsulfanyl)-1,3-dithiole-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.980864926 u |
| Formula |
C21H18O4S5 |
| InChI |
InChI=1S/C21H18O4S5/c1-13(22)24-17-7-3-15(4-8-17)11-27-19-20(30-21(26)29-19)28-12-16-5-9-18(10-6-16)25-14(2)23/h3-10H,11-12H2,1-2H3 |
| InChIKey |
RJNMVVIYMYADOY-UHFFFAOYSA-N |
| Molecular Weight |
494.671 g/mol |
| SMILES |
C=1(SC(SC1SCC1=CC=C(OC(=O)C)C=C1)=S)SCC=1C=CC(OC(=O)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961953 |
