| SpectraBase Compound ID | IrWCfjCEw5x |
|---|---|
| InChI | InChI=1S/C6H8O2S2/c1-5(7)4-6-9-2-3-10(6)8/h4H,2-3H2,1H3/b6-4+ |
| InChIKey | XQJKPYVEMRVCDL-GQCTYLIASA-N |
| Mol Weight | 176.25 g/mol |
| Molecular Formula | C6H8O2S2 |
| Exact Mass | 175.996572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ALu4t4rp5r1 |
|---|---|
| Name | Ligand 1-(1-Oxo-1,3-dithiolan-2-yliden)acetone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H8O2S2 |
| InChI | InChI=1S/C6H8O2S2/c1-5(7)4-6-9-2-3-10(6)8/h4H,2-3H2,1H3/b6-4+ |
| InChIKey | XQJKPYVEMRVCDL-GQCTYLIASA-N |
| Molecular Weight | 176.248 g/mol |
| SMILES | C1S(\C(SC1)=C\C(=O)C)=O |
| SPLASH | splash10-0006-9300000000-85f1e8a50a243bd9fe24 |
| Source of Spectrum | OV-689-891-2 |
| Wiley ID | 1575757 |