| SpectraBase Compound ID | 5rAg1oP2xDB |
|---|---|
| InChI | InChI=1S/C9H12OS3/c1-11-9(12-2)6-7(10)8-4-3-5-13-8/h3-5,9H,6H2,1-2H3 |
| InChIKey | FFRRRJJQPNVTND-UHFFFAOYSA-N |
| Mol Weight | 232.37 g/mol |
| Molecular Formula | C9H12OS3 |
| Exact Mass | 232.005029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uSkSioWaVM |
|---|---|
| Name | 1-Propanone, 3,3-bis(methylthio)-1-(2-thienyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.005028527 u |
| Formula | C9H12OS3 |
| InChI | InChI=1S/C9H12OS3/c1-11-9(12-2)6-7(10)8-4-3-5-13-8/h3-5,9H,6H2,1-2H3 |
| InChIKey | FFRRRJJQPNVTND-UHFFFAOYSA-N |
| Molecular Weight | 232.374 g/mol |
| SMILES | C(C=1SC=CC1)(CC(SC)SC)=O |