| SpectraBase Compound ID | 3bGmMGHRzhT |
|---|---|
| InChI | InChI=1S/C4H9NO2S/c1-8(6,7)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+ |
| InChIKey | ZBUVYEASDWDBHG-DUXPYHPUSA-N |
| Mol Weight | 135.18 g/mol |
| Molecular Formula | C4H9NO2S |
| Exact Mass | 135.0354 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8dlTKR9QGW5 |
|---|---|
| Name | 3-Amino-1-(methylsulfonyl)-1-propene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.035399706 u |
| Formula | C4H9NO2S |
| InChI | InChI=1S/C4H9NO2S/c1-8(6,7)4-2-3-5/h2,4H,3,5H2,1H3/b4-2+ |
| InChIKey | ZBUVYEASDWDBHG-DUXPYHPUSA-N |
| Molecular Weight | 135.181 g/mol |
| SMILES | C(\C=C\S(=O)(=O)C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963938 |