| SpectraBase Compound ID | 9UBO2x1o2C9 |
|---|---|
| InChI | InChI=1S/C12H26O2S/c1-2-3-4-5-6-7-8-9-11-15(14)12-10-13/h13H,2-12H2,1H3 |
| InChIKey | FRMANNAMIQYSEN-UHFFFAOYSA-N |
| Mol Weight | 234.4 g/mol |
| Molecular Formula | C12H26O2S |
| Exact Mass | 234.165351 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BCm488zxrpW |
|---|---|
| Name | 2-(Decylsulfinyl)ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.165351249 u |
| Formula | C12H26O2S |
| InChI | InChI=1S/C12H26O2S/c1-2-3-4-5-6-7-8-9-11-15(14)12-10-13/h13H,2-12H2,1H3 |
| InChIKey | FRMANNAMIQYSEN-UHFFFAOYSA-N |
| Molecular Weight | 234.398 g/mol |
| SMILES | OCCS(CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.983134 |