| SpectraBase Compound ID | 8VuCfcMOFOw |
|---|---|
| InChI | InChI=1S/C6H12OS2/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 |
| InChIKey | XQYCKOJMVKASRI-UHFFFAOYSA-N |
| Mol Weight | 164.28 g/mol |
| Molecular Formula | C6H12OS2 |
| Exact Mass | 164.032957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3rK2Ltr3XSV |
|---|---|
| Name | 2-Butanone, 4,4-bis(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.032957353 u |
| Formula | C6H12OS2 |
| InChI | InChI=1S/C6H12OS2/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 |
| InChIKey | XQYCKOJMVKASRI-UHFFFAOYSA-N |
| Molecular Weight | 164.281 g/mol |
| SMILES | C(C(SC)SC)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930101 |