| SpectraBase Compound ID | 8S959x6hiKF |
|---|---|
| InChI | InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3 |
| InChIKey | JQTFPHLEQLLQOT-UHFFFAOYSA-N |
| Mol Weight | 344.6 g/mol |
| Molecular Formula | C20H40O2S |
| Exact Mass | 344.274902 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4BBbgyVtaIM |
|---|---|
| Name | Mercaptoacetic acid, octadecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.274901700 u |
| Formula | C20H40O2S |
| InChI | InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3 |
| InChIKey | JQTFPHLEQLLQOT-UHFFFAOYSA-N |
| SMILES | SCC(OCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.915694 |