| SpectraBase Compound ID | AQycL5U0Sk1 |
|---|---|
| InChI | InChI=1S/C6H10OS2/c1-4-6(7)5(2)9-3-8-4/h4-5H,3H2,1-2H3/t4-,5+ |
| InChIKey | BFLKVUDHUKMFNT-SYDPRGILSA-N |
| Mol Weight | 162.26 g/mol |
| Molecular Formula | C6H10OS2 |
| Exact Mass | 162.017307 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2oKptaaGhKZ |
|---|---|
| Name | cis-4,6-Dimethyl-1,3-dithian-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.017307289 u |
| Formula | C6H10OS2 |
| InChI | InChI=1S/C6H10OS2/c1-4-6(7)5(2)9-3-8-4/h4-5H,3H2,1-2H3/t4-,5+ |
| InChIKey | BFLKVUDHUKMFNT-SYDPRGILSA-N |
| SMILES | [C@@]1(SCS[C@@](C1=O)(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943121 |