| SpectraBase Compound ID | 9obwDunvICk |
|---|---|
| InChI | InChI=1S/C14H28S/c1-3-5-6-7-8-9-10-14-12-11-13(4-2)15-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | MTIKRRUAHBGWHE-UHFFFAOYSA-N |
| Mol Weight | 228.44 g/mol |
| Molecular Formula | C14H28S |
| Exact Mass | 228.191172 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1HYtVBO68lc |
|---|---|
| Name | 2-Ethyl-5-octylthiolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.191172076 u |
| Formula | C14H28S |
| InChI | InChI=1S/C14H28S/c1-3-5-6-7-8-9-10-14-12-11-13(4-2)15-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | MTIKRRUAHBGWHE-UHFFFAOYSA-N |
| Molecular Weight | 228.438 g/mol |
| SMILES | C(CCCCCC1SC(CC)CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834316 |