| SpectraBase Compound ID | 3V4N6WeMijz |
|---|---|
| InChI | InChI=1S/C4H8O3S2/c1-4(5)8-3-9(2,6)7/h3H2,1-2H3 |
| InChIKey | YMKPEFVAHZAIKD-UHFFFAOYSA-N |
| Mol Weight | 168.22 g/mol |
| Molecular Formula | C4H8O3S2 |
| Exact Mass | 167.991486 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HyVL47lH7zW |
|---|---|
| Name | Ethanethioic acid S-(mesylmethyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.991486463 u |
| Formula | C4H8O3S2 |
| InChI | InChI=1S/C4H8O3S2/c1-4(5)8-3-9(2,6)7/h3H2,1-2H3 |
| InChIKey | YMKPEFVAHZAIKD-UHFFFAOYSA-N |
| SMILES | C(S(=O)(=O)C)SC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928051 |