| SpectraBase Compound ID | 1CcH7l3Y2Mz |
|---|---|
| InChI | InChI=1S/C8H16S/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
| InChIKey | WDKXFRFMWSEYBG-UHFFFAOYSA-N |
| Mol Weight | 144.28 g/mol |
| Molecular Formula | C8H16S |
| Exact Mass | 144.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J9bdiJwKKqG |
|---|---|
| Name | Octane-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.097271689 u |
| Formula | C8H16S |
| InChI | InChI=1S/C8H16S/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 |
| InChIKey | WDKXFRFMWSEYBG-UHFFFAOYSA-N |
| Molecular Weight | 144.276 g/mol |
| SMILES | C(=S)(CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952339 |