| SpectraBase Compound ID | E1pFuJBycQ3 |
|---|---|
| InChI | InChI=1S/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7) |
| InChIKey | QSBWDKUBOZHGOU-UHFFFAOYSA-N |
| Mol Weight | 134.15 g/mol |
| Molecular Formula | C4H6O3S |
| Exact Mass | 134.003765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5kDbuQzS25Q |
|---|---|
| Name | Mercaptoacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.003765224 u |
| Formula | C4H6O3S |
| InChI | InChI=1S/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7) |
| InChIKey | QSBWDKUBOZHGOU-UHFFFAOYSA-N |
| SMILES | OC(CSC(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.987561 |