| SpectraBase Compound ID | LGvMWpbOVV8 |
|---|---|
| InChI | InChI=1S/C6H10O3S/c1-3-6(7)9-4-5-10(2)8/h3H,1,4-5H2,2H3 |
| InChIKey | TZKAAJHHGXWOGK-UHFFFAOYSA-N |
| Mol Weight | 162.2 g/mol |
| Molecular Formula | C6H10O3S |
| Exact Mass | 162.035065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQxBfn1NU4s |
|---|---|
| Name | 2-Propenoic acid, 2-(methylsulfinyl)ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.035065353 u |
| Formula | C6H10O3S |
| InChI | InChI=1S/C6H10O3S/c1-3-6(7)9-4-5-10(2)8/h3H,1,4-5H2,2H3 |
| InChIKey | TZKAAJHHGXWOGK-UHFFFAOYSA-N |
| Molecular Weight | 162.203 g/mol |
| SMILES | CS(CCOC(C=C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871208 |