| SpectraBase Compound ID | 2EL9tYmfdXP |
|---|---|
| InChI | InChI=1S/C9H12O3S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3 |
| InChIKey | XQKMHPAHBSZQGW-UHFFFAOYSA-N |
| Mol Weight | 200.25 g/mol |
| Molecular Formula | C9H12O3S |
| Exact Mass | 200.050715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ptBSnhDLyI |
|---|---|
| Name | Ethyl 4-(hydroxymethyl)phenyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.050715417 u |
| Formula | C9H12O3S |
| InChI | InChI=1S/C9H12O3S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3 |
| InChIKey | XQKMHPAHBSZQGW-UHFFFAOYSA-N |
| Molecular Weight | 200.252 g/mol |
| SMILES | C1=CC(=CC=C1CO)S(=O)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833823 |