| SpectraBase Compound ID | 6E4xd7GUFTv |
|---|---|
| InChI | InChI=1S/C6H12O2S2/c1-10-4-2-3-8-6(7)5-9/h9H,2-5H2,1H3 |
| InChIKey | CNFYMFGPHSETCO-UHFFFAOYSA-N |
| Mol Weight | 180.28 g/mol |
| Molecular Formula | C6H12O2S2 |
| Exact Mass | 180.027872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SvxGAusJbu |
|---|---|
| Name | 3-(Methylthio)propyl mercaptoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.027871972 u |
| Formula | C6H12O2S2 |
| InChI | InChI=1S/C6H12O2S2/c1-10-4-2-3-8-6(7)5-9/h9H,2-5H2,1H3 |
| InChIKey | CNFYMFGPHSETCO-UHFFFAOYSA-N |
| SMILES | SCC(OCCCSC)=O |