| SpectraBase Compound ID | 6V8OHrjSWvZ |
|---|---|
| InChI | InChI=1S/C9H16OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h6,9H,1-5,7-8H2 |
| InChIKey | RAVXFRAUTNBELB-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 | 7jvJFhfDTvM |
|---|---|
| Name | 5-(1',3'-Dithian-2'-yl)pentanal |
| 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/h6,9H,1-5,7-8H2 |
| InChIKey | RAVXFRAUTNBELB-UHFFFAOYSA-N |
| Molecular Weight | 204.346 g/mol |
| SMILES | C1(SCCCS1)CCCCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974163 |