| SpectraBase Compound ID | 80p4At2wi3H |
|---|---|
| InChI | InChI=1S/C13H26O2S/c1-2-3-4-5-6-7-8-9-10-11-16-12-13(14)15/h2-12H2,1H3,(H,14,15) |
| InChIKey | CZSSKBQAJULWPY-UHFFFAOYSA-N |
| Mol Weight | 246.41 g/mol |
| Molecular Formula | C13H26O2S |
| Exact Mass | 246.165351 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C32jNvSiXGI |
|---|---|
| Name | (Undecylthio)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.165351249 u |
| Formula | C13H26O2S |
| InChI | InChI=1S/C13H26O2S/c1-2-3-4-5-6-7-8-9-10-11-16-12-13(14)15/h2-12H2,1H3,(H,14,15) |
| InChIKey | CZSSKBQAJULWPY-UHFFFAOYSA-N |
| Molecular Weight | 246.409 g/mol |
| SMILES | OC(CSCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.942704 |