| SpectraBase Compound ID | H9qF4Kl7Arw |
|---|---|
| InChI | InChI=1S/C6H12S/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3 |
| InChIKey | BEEJXKSVPBKHQM-UHFFFAOYSA-N |
| Mol Weight | 116.22 g/mol |
| Molecular Formula | C6H12S |
| Exact Mass | 116.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6eW3KAzW2d2 |
|---|---|
| Name | 3-Ethylthiolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.065971560 u |
| Formula | C6H12S |
| InChI | InChI=1S/C6H12S/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3 |
| InChIKey | BEEJXKSVPBKHQM-UHFFFAOYSA-N |
| Molecular Weight | 116.222 g/mol |
| SMILES | C1SCCC1CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91195 |