| SpectraBase Compound ID | IEAigtcZlHT |
|---|---|
| InChI | InChI=1S/C14H14O3S/c1-10-8-11(2)14(9-13(10)15)18(16,17)12-6-4-3-5-7-12/h3-9,15H,1-2H3 |
| InChIKey | JSCYLVOXBLHGJJ-UHFFFAOYSA-N |
| Mol Weight | 262.32 g/mol |
| Molecular Formula | C14H14O3S |
| Exact Mass | 262.066365 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E8FVOTKjp08 |
|---|---|
| Name | 5-(Phenylsulfonyl)-2,4-xylenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.066365482 u |
| Formula | C14H14O3S |
| InChI | InChI=1S/C14H14O3S/c1-10-8-11(2)14(9-13(10)15)18(16,17)12-6-4-3-5-7-12/h3-9,15H,1-2H3 |
| InChIKey | JSCYLVOXBLHGJJ-UHFFFAOYSA-N |
| SMILES | OC=1C(C)=CC(C)=C(C1)S(=O)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.903678 |