| SpectraBase Compound ID | 85pWSuwRHTB |
|---|---|
| InChI | InChI=1S/C8H10S/c1-3-5-7-9-8-6-4-2/h3-4H2,1-2H3 |
| InChIKey | OGRNUNAKTPANHR-UHFFFAOYSA-N |
| Mol Weight | 138.23 g/mol |
| Molecular Formula | C8H10S |
| Exact Mass | 138.050321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KfHNXMyLT5 |
|---|---|
| Name | 1-Butyne, 1,1'-thiobis- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.050321496 u |
| Formula | C8H10S |
| InChI | InChI=1S/C8H10S/c1-3-5-7-9-8-6-4-2/h3-4H2,1-2H3 |
| InChIKey | OGRNUNAKTPANHR-UHFFFAOYSA-N |
| Molecular Weight | 138.228 g/mol |
| SMILES | CCC#CSC#CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850712 |