| SpectraBase Compound ID | 94RWImR4ZgK |
|---|---|
| InChI | InChI=1S/C14H14O3S/c1-10-3-6-12(7-4-10)18(16,17)14-9-11(2)5-8-13(14)15/h3-9,15H,1-2H3 |
| InChIKey | UUHIJXCUDLTVSK-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 | CIUS5c2UPVJ |
|---|---|
| Name | 4-Methyl-2-(p-tolylsulfonyl)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/c1-10-3-6-12(7-4-10)18(16,17)14-9-11(2)5-8-13(14)15/h3-9,15H,1-2H3 |
| InChIKey | UUHIJXCUDLTVSK-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=CC1)C)S(=O)(=O)C=1C=CC(=CC1)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930116 |