| SpectraBase Compound ID | CHYUfaaPcIZ |
|---|---|
| InChI | InChI=1S/C8H18O3S2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h9-10H,1-8H2 |
| InChIKey | SYLONGMLAHNVOC-UHFFFAOYSA-N |
| Mol Weight | 226.35 g/mol |
| Molecular Formula | C8H18O3S2 |
| Exact Mass | 226.069737 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 97SQuKi0hlr |
|---|---|
| Name | 6-oxa-3,9-Dithiaundecane-1,11-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.069736785 u |
| Formula | C8H18O3S2 |
| InChI | InChI=1S/C8H18O3S2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h9-10H,1-8H2 |
| InChIKey | SYLONGMLAHNVOC-UHFFFAOYSA-N |
| Molecular Weight | 226.349 g/mol |
| SMILES | C(OCCSCCO)CSCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990809 |