| SpectraBase Compound ID | 1umdZ7DC54t |
|---|---|
| InChI | InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6) |
| InChIKey | KRHAHEQEKNJCSD-UHFFFAOYSA-N |
| Mol Weight | 152.23 g/mol |
| Molecular Formula | C4H8O2S2 |
| Exact Mass | 151.996572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQT3B6B98Xu |
|---|---|
| Name | Propanoic acid, 3-mercapto-2-(mercaptomethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.996571844 u |
| Formula | C4H8O2S2 |
| InChI | InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6) |
| InChIKey | KRHAHEQEKNJCSD-UHFFFAOYSA-N |
| SMILES | C(S)C(C(=O)O)CS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961247 |