| SpectraBase Compound ID | 7Ol4JjUKB9b |
|---|---|
| InChI | InChI=1S/C4H6O6S/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| InChIKey | WDYRPTWUNMHTJL-UHFFFAOYSA-N |
| Mol Weight | 182.15 g/mol |
| Molecular Formula | C4H6O6S |
| Exact Mass | 181.988509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | F7NjzikjRLt |
|---|---|
| Name | 2,2'-Sulfonyldiacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.988509081 u |
| Formula | C4H6O6S |
| InChI | InChI=1S/C4H6O6S/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| InChIKey | WDYRPTWUNMHTJL-UHFFFAOYSA-N |
| SMILES | OC(CS(CC(=O)O)(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.968424 |