![1-Hydroxy-4-[phenylsulfonyl]-2-butanone](/api/spectrum/ESl9pxmwqEB/structure.png?h=300&w=458 "1-Hydroxy-4-[phenylsulfonyl]-2-butanone")
| SpectraBase Compound ID | 8CdBCtsFX0v |
|---|---|
| InChI | InChI=1S/C10H12O4S/c11-8-9(12)6-7-15(13,14)10-4-2-1-3-5-10/h1-5,11H,6-8H2 |
| InChIKey | ODDOXXGATOCDRW-UHFFFAOYSA-N |
| Mol Weight | 228.26 g/mol |
| Molecular Formula | C10H12O4S |
| Exact Mass | 228.04563 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ESl9pxmwqEB |
|---|---|
| Name | 1-Hydroxy-4-[phenylsulfonyl]-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.045630036 u |
| Formula | C10H12O4S |
| InChI | InChI=1S/C10H12O4S/c11-8-9(12)6-7-15(13,14)10-4-2-1-3-5-10/h1-5,11H,6-8H2 |
| InChIKey | ODDOXXGATOCDRW-UHFFFAOYSA-N |
| Molecular Weight | 228.262 g/mol |
| SMILES | C(O)C(=O)CCS(=O)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900098 |