| SpectraBase Compound ID | BpJeQAV5bsi |
|---|---|
| InChI | InChI=1S/C5H10O2S2/c1-5(6)7-3-4-9-8-2/h3-4H2,1-2H3 |
| InChIKey | LLEQOQILPDWOAK-UHFFFAOYSA-N |
| Mol Weight | 166.25 g/mol |
| Molecular Formula | C5H10O2S2 |
| Exact Mass | 166.012222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfguYpHex8d |
|---|---|
| Name | 3,4-Dithiapentyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.012221908 u |
| Formula | C5H10O2S2 |
| InChI | InChI=1S/C5H10O2S2/c1-5(6)7-3-4-9-8-2/h3-4H2,1-2H3 |
| InChIKey | LLEQOQILPDWOAK-UHFFFAOYSA-N |
| SMILES | C(C)(=O)OCCSSC |