| SpectraBase Compound ID | DYGnYxNHpI7 |
|---|---|
| InChI | InChI=1S/C3H4O3S/c4-2-7-1-3(5)6/h2H,1H2,(H,5,6) |
| InChIKey | ANBQJWAGJMNOFB-UHFFFAOYSA-N |
| Mol Weight | 120.12 g/mol |
| Molecular Formula | C3H4O3S |
| Exact Mass | 119.988115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9cSCI2HA0HG |
|---|---|
| Name | Acetic acid, (formylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 119.988115160 u |
| Formula | C3H4O3S |
| InChI | InChI=1S/C3H4O3S/c4-2-7-1-3(5)6/h2H,1H2,(H,5,6) |
| InChIKey | ANBQJWAGJMNOFB-UHFFFAOYSA-N |
| Molecular Weight | 120.122 g/mol |
| SMILES | OC(CSC=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.987462 |