| SpectraBase Compound ID | EOO4aqmbe8o |
|---|---|
| InChI | InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| InChIKey | WNAHIZMDSQCWRP-UHFFFAOYSA-N |
| Mol Weight | 202.4 g/mol |
| Molecular Formula | C12H26S |
| Exact Mass | 202.175522 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FquQxubZeuO |
|---|---|
| Name | 1-Dodecanethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.175522011 u |
| Formula | C12H26S |
| InChI | InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| InChIKey | WNAHIZMDSQCWRP-UHFFFAOYSA-N |
| Molecular Weight | 202.400 g/mol |
| SMILES | SCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.996157 |