| SpectraBase Compound ID | 9JsyJpjKHWX |
|---|---|
| InChI | InChI=1S/C13H27ClOS/c1-2-3-4-5-6-7-12-16-13-8-10-15-11-9-14/h2-13H2,1H3 |
| InChIKey | BJIPZQMXXQZRBC-UHFFFAOYSA-N |
| Mol Weight | 266.87 g/mol |
| Molecular Formula | C13H27ClOS |
| Exact Mass | 266.147114 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GTTpvsddUP6 |
|---|---|
| Name | Ether, 2-chloroethyl-3-(octylthio)propyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.147114362 u |
| Formula | C13H27ClOS |
| InChI | InChI=1S/C13H27ClOS/c1-2-3-4-5-6-7-12-16-13-8-10-15-11-9-14/h2-13H2,1H3 |
| InChIKey | BJIPZQMXXQZRBC-UHFFFAOYSA-N |
| Molecular Weight | 266.871 g/mol |
| SMILES | C(SCCCCCCCC)CCOCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903067 |