| SpectraBase Compound ID | 1wg5SBFQDdA |
|---|---|
| InChI | InChI=1S/C14H22S/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey | GMMWKYSAFBYKHU-UHFFFAOYSA-N |
| Mol Weight | 222.39 g/mol |
| Molecular Formula | C14H22S |
| Exact Mass | 222.144222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D7T0D9CRiKf |
|---|---|
| Name | (Octylthio)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.144221882 u |
| Formula | C14H22S |
| InChI | InChI=1S/C14H22S/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey | GMMWKYSAFBYKHU-UHFFFAOYSA-N |
| Molecular Weight | 222.390 g/mol |
| SMILES | C1(SCCCCCCCC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877957 |