| SpectraBase Compound ID | FSUrUMuTXbl |
|---|---|
| InChI | InChI=1S/C10H18OS2/c1-7(8(2)9(3)11)6-10(12-4)13-5/h6-8H,1-5H3 |
| InChIKey | LLOHNFJVLQMPLU-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 | HEBbA5tuqcU |
|---|---|
| Name | 6,6-bis(Methylthio)-3,4-dimethylhex-5-en-2-one |
| 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/c1-7(8(2)9(3)11)6-10(12-4)13-5/h6-8H,1-5H3 |
| InChIKey | LLOHNFJVLQMPLU-UHFFFAOYSA-N |
| Molecular Weight | 218.373 g/mol |
| SMILES | C(=C(SC)SC)C(C(C(=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840685 |