| SpectraBase Spectrum ID |
ITh6uw81YTi |
| Name |
Benzene, 1,1'-[(ethylthio)methylene]bis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.097271689 u |
| Formula |
C15H16S |
| InChI |
InChI=1S/C15H16S/c1-2-16-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| InChIKey |
JXJGZRIEHCBUKF-UHFFFAOYSA-N |
| Molecular Weight |
228.353 g/mol |
| SMILES |
C1=CC=C(C=C1)C(C1=CC=CC=C1)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950865 |