| SpectraBase Compound ID | 1PSGqhzOug8 |
|---|---|
| InChI | InChI=1S/C13H26S/c1-3-4-5-6-7-8-9-13-11-10-12(2)14-13/h12-13H,3-11H2,1-2H3 |
| InChIKey | PLVQIALUWCECME-UHFFFAOYSA-N |
| Mol Weight | 214.41 g/mol |
| Molecular Formula | C13H26S |
| Exact Mass | 214.175522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9v8o67KtKJO |
|---|---|
| Name | 2-Methyl-5-octylthiolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.175522011 u |
| Formula | C13H26S |
| InChI | InChI=1S/C13H26S/c1-3-4-5-6-7-8-9-13-11-10-12(2)14-13/h12-13H,3-11H2,1-2H3 |
| InChIKey | PLVQIALUWCECME-UHFFFAOYSA-N |
| Molecular Weight | 214.411 g/mol |
| SMILES | C(CCCCCC)CC1SC(C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86244 |