![2-Methyl-4-[(p-methylphenyl)sulfonyl]-phenol](/api/spectrum/I3YFTIbyAKD/structure.png?h=300&w=458 "2-Methyl-4-[(p-methylphenyl)sulfonyl]-phenol")
| SpectraBase Compound ID | Ki4UxMPUFAn |
|---|---|
| InChI | InChI=1S/C14H14O3S/c1-10-3-5-12(6-4-10)18(16,17)13-7-8-14(15)11(2)9-13/h3-9,15H,1-2H3 |
| InChIKey | NULQOEFCWLTZOD-UHFFFAOYSA-N |
| Mol Weight | 262.32 g/mol |
| Molecular Formula | C14H14O3S |
| Exact Mass | 262.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I3YFTIbyAKD |
|---|---|
| Name | 2-Methyl-4-[(p-methylphenyl)sulfonyl]-phenol |
| 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/c1-10-3-5-12(6-4-10)18(16,17)13-7-8-14(15)11(2)9-13/h3-9,15H,1-2H3 |
| InChIKey | NULQOEFCWLTZOD-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=CC1)S(=O)(=O)C=1C=CC(=CC1)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920502 |