| SpectraBase Compound ID | 6fTkQLuMWiX |
|---|---|
| InChI | InChI=1S/C10H18OS2/c1-9(11)5-2-3-6-10-12-7-4-8-13-10/h10H,2-8H2,1H3 |
| InChIKey | XSYGMFDWJPWBPC-UHFFFAOYSA-N |
| Mol Weight | 218.37 g/mol |
| Molecular Formula | C10H18OS2 |
| Exact Mass | 218.079908 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hd4dMbXpz1T |
|---|---|
| Name | 6-(1,3-Dithian-2-yl)-2-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.079907547 u |
| Formula | C10H18OS2 |
| InChI | InChI=1S/C10H18OS2/c1-9(11)5-2-3-6-10-12-7-4-8-13-10/h10H,2-8H2,1H3 |
| InChIKey | XSYGMFDWJPWBPC-UHFFFAOYSA-N |
| Molecular Weight | 218.373 g/mol |
| SMILES | C1(SCCCS1)CCCCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912762 |