| SpectraBase Compound ID | KizOuClLEga |
|---|---|
| InChI | InChI=1S/C16H32OS/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3-15H2,1-2H3 |
| InChIKey | DEACWMKCJCAZJQ-UHFFFAOYSA-N |
| Mol Weight | 272.5 g/mol |
| Molecular Formula | C16H32OS |
| Exact Mass | 272.217387 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 72QQSBknyuB |
|---|---|
| Name | Hexanethioic acid, S-decyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.217386823 u |
| Formula | C16H32OS |
| InChI | InChI=1S/C16H32OS/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3-15H2,1-2H3 |
| InChIKey | DEACWMKCJCAZJQ-UHFFFAOYSA-N |
| SMILES | C(SCCCCCCCCCC)(CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976508 |