| SpectraBase Compound ID | H66UsEA0LDb |
|---|---|
| InChI | InChI=1S/C10H16OS2/c11-10(5-2-1-3-6-10)9-12-7-4-8-13-9/h2,5,9,11H,1,3-4,6-8H2 |
| InChIKey | BXAYQNWOCOYACP-UHFFFAOYSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C10H16OS2 |
| Exact Mass | 216.064257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LOkFA4blGMw |
|---|---|
| Name | 1,3-Dithiane, 2-cyclohexen-1-ol deriv. |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.064257482 u |
| Formula | C10H16OS2 |
| InChI | InChI=1S/C10H16OS2/c11-10(5-2-1-3-6-10)9-12-7-4-8-13-9/h2,5,9,11H,1,3-4,6-8H2 |
| InChIKey | BXAYQNWOCOYACP-UHFFFAOYSA-N |
| Molecular Weight | 216.357 g/mol |
| SMILES | C1(C2(C=CCCC2)O)SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867798 |