| SpectraBase Compound ID | JAT2lAJxCGL |
|---|---|
| InChI | InChI=1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3 |
| InChIKey | CJPDBKNETSCHCH-UHFFFAOYSA-N |
| Mol Weight | 232.43 g/mol |
| Molecular Formula | C13H28OS |
| Exact Mass | 232.186087 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3SOQKmegfRn |
|---|---|
| Name | Dodecane, 1-(methylsulfinyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.186086695 u |
| Formula | C13H28OS |
| InChI | InChI=1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3 |
| InChIKey | CJPDBKNETSCHCH-UHFFFAOYSA-N |
| Molecular Weight | 232.426 g/mol |
| SMILES | C(CCCCCCCCC)CCS(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85991 |