| SpectraBase Compound ID | BXdLf23FzOX |
|---|---|
| InChI | InChI=1S/C6H10O3S/c1-3-4-6(7)5-10(2,8)9/h3-4H,5H2,1-2H3/b4-3+ |
| InChIKey | OTDLXVSXBJEIIV-ONEGZZNKSA-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 | JAM4baQ2wNA |
|---|---|
| Name | (E)-1-Methylsulfonyl-3-penten-2-one |
| 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/c1-3-4-6(7)5-10(2,8)9/h3-4H,5H2,1-2H3/b4-3+ |
| InChIKey | OTDLXVSXBJEIIV-ONEGZZNKSA-N |
| Molecular Weight | 162.203 g/mol |
| SMILES | C(S(=O)(=O)C)C(\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823177 |