| SpectraBase Compound ID | APjMTcGa7vJ |
|---|---|
| InChI | InChI=1S/C11H22S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h11H,2-10H2,1H3 |
| InChIKey | WCNZLOREXFVTDK-UHFFFAOYSA-N |
| Mol Weight | 186.36 g/mol |
| Molecular Formula | C11H22S |
| Exact Mass | 186.144222 g/mol |
| SpectraBase Spectrum ID | KoymQF28bq5 |
|---|---|
| Name | Sulfide, cyclopentyl hexyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.144221882 u |
| Formula | C11H22S |
| InChI | InChI=1S/C11H22S/c1-2-3-4-7-10-12-11-8-5-6-9-11/h11H,2-10H2,1H3 |
| InChIKey | WCNZLOREXFVTDK-UHFFFAOYSA-N |
| Molecular Weight | 186.357 g/mol |
| SMILES | C(SC1CCCC1)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901967 |