![5-([1,3]Dithian-2-ylidene)pentan-1-ol](/api/spectrum/eshb3uDZko/structure.png?h=300&w=458 "5-([1,3]Dithian-2-ylidene)pentan-1-ol")
| SpectraBase Compound ID | 4YXO0GT0Jpk |
|---|---|
| InChI | InChI=1S/C9H16OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h5,10H,1-4,6-8H2 |
| InChIKey | CBQBYLHCGYSBTL-UHFFFAOYSA-N |
| Mol Weight | 204.35 g/mol |
| Molecular Formula | C9H16OS2 |
| Exact Mass | 204.064257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | eshb3uDZko |
|---|---|
| Name | 5-([1,3]Dithian-2-ylidene)pentan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.064257482 u |
| Formula | C9H16OS2 |
| InChI | InChI=1S/C9H16OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h5,10H,1-4,6-8H2 |
| InChIKey | CBQBYLHCGYSBTL-UHFFFAOYSA-N |
| Molecular Weight | 204.346 g/mol |
| SMILES | C1(SCCCS1)=CCCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892188 |