| SpectraBase Compound ID | Hh4Ro7989xh |
|---|---|
| InChI | InChI=1S/C6H6S/c1-3-5-7-6-4-2/h1-2H3 |
| InChIKey | LYRKSHUJICGWGJ-UHFFFAOYSA-N |
| Mol Weight | 110.17 g/mol |
| Molecular Formula | C6H6S |
| Exact Mass | 110.019021 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HaxBuSvOC4I |
|---|---|
| Name | 1-Propyne, 1,1'-thiobis- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.019021367 u |
| Formula | C6H6S |
| InChI | InChI=1S/C6H6S/c1-3-5-7-6-4-2/h1-2H3 |
| InChIKey | LYRKSHUJICGWGJ-UHFFFAOYSA-N |
| Molecular Weight | 110.174 g/mol |
| SMILES | CC#CSC#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833338 |