| SpectraBase Compound ID | BxLCYdGxDV1 |
|---|---|
| InChI | InChI=1S/C10H12O4S2/c1-8-3-5-9(6-4-8)16(12,13)15-7-10(11)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | WIDXRFFEKXIVDG-UHFFFAOYSA-N |
| Mol Weight | 260.32 g/mol |
| Molecular Formula | C10H12O4S2 |
| Exact Mass | 260.017701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nGh1SLoH0L |
|---|---|
| Name | 2-(Tosylthio)acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.017701210 u |
| Formula | C10H12O4S2 |
| InChI | InChI=1S/C10H12O4S2/c1-8-3-5-9(6-4-8)16(12,13)15-7-10(11)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | WIDXRFFEKXIVDG-UHFFFAOYSA-N |
| Molecular Weight | 260.322 g/mol |
| SMILES | C(SS(C=1C=CC(=CC1)C)(=O)=O)C(=O)OC |