| SpectraBase Compound ID | Bt5CuhVGoRG |
|---|---|
| InChI | InChI=1S/C3H6O4S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5) |
| InChIKey | NYEHUAQIJXERLP-UHFFFAOYSA-N |
| Mol Weight | 138.14 g/mol |
| Molecular Formula | C3H6O4S |
| Exact Mass | 137.99868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zRNHcwKpth |
|---|---|
| Name | Methylsulfonylacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.998679843 u |
| Formula | C3H6O4S |
| InChI | InChI=1S/C3H6O4S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5) |
| InChIKey | NYEHUAQIJXERLP-UHFFFAOYSA-N |
| SMILES | OC(CS(C)(=O)=O)=O |