| SpectraBase Compound ID | DEW4knvMCUr |
|---|---|
| InChI | InChI=1S/C11H12O3S/c1-10(6-5-9-12)15(13,14)11-7-3-2-4-8-11/h2-4,7-9H,1,5-6H2 |
| InChIKey | FXXXDKONDVYLGP-UHFFFAOYSA-N |
| Mol Weight | 224.27 g/mol |
| Molecular Formula | C11H12O3S |
| Exact Mass | 224.050715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HXtz6qRzOYI |
|---|---|
| Name | 4-Phenylsulfonyl-4-pentenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.050715417 u |
| Formula | C11H12O3S |
| InChI | InChI=1S/C11H12O3S/c1-10(6-5-9-12)15(13,14)11-7-3-2-4-8-11/h2-4,7-9H,1,5-6H2 |
| InChIKey | FXXXDKONDVYLGP-UHFFFAOYSA-N |
| Molecular Weight | 224.274 g/mol |
| SMILES | C(S(=O)(=O)C=1C=CC=CC1)(=C)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901646 |