| SpectraBase Compound ID | HV0fTRLf2OG |
|---|---|
| InChI | InChI=1S/C4H8O2S/c1-3(7)4(5)6-2/h3,7H,1-2H3 |
| InChIKey | SNWKNPMDQONHKK-UHFFFAOYSA-N |
| Mol Weight | 120.17 g/mol |
| Molecular Formula | C4H8O2S |
| Exact Mass | 120.024501 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5FzLaMB7xsQ |
|---|---|
| Name | Propanoic acid, 2-mercapto-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.024500670 u |
| Formula | C4H8O2S |
| InChI | InChI=1S/C4H8O2S/c1-3(7)4(5)6-2/h3,7H,1-2H3 |
| InChIKey | SNWKNPMDQONHKK-UHFFFAOYSA-N |
| Molecular Weight | 120.166 g/mol |
| SMILES | SC(C(OC)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.809529 |