| SpectraBase Compound ID | 6DXzbrJ6M9k |
|---|---|
| InChI | InChI=1S/C10H20OS2/c1-6-12-9(13-7-2)8(11)10(3,4)5/h9H,6-7H2,1-5H3 |
| InChIKey | KEZKGVYGVCJNOZ-UHFFFAOYSA-N |
| Mol Weight | 220.39 g/mol |
| Molecular Formula | C10H20OS2 |
| Exact Mass | 220.095558 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jc0WUPfM4G6 |
|---|---|
| Name | 1,1-di(Ethylthio)-3,3-dimethyl-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.095557611 u |
| Formula | C10H20OS2 |
| InChI | InChI=1S/C10H20OS2/c1-6-12-9(13-7-2)8(11)10(3,4)5/h9H,6-7H2,1-5H3 |
| InChIKey | KEZKGVYGVCJNOZ-UHFFFAOYSA-N |
| Molecular Weight | 220.389 g/mol |
| SMILES | C(C(SCC)SCC)(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899755 |