| SpectraBase Compound ID | KOGmu3WCE5M |
|---|---|
| InChI | InChI=1S/C14H13ClO2S/c1-9-8-14(10(2)7-13(9)16)18(17)12-5-3-11(15)4-6-12/h3-8,16H,1-2H3 |
| InChIKey | QZBCHXMHZAGDDU-UHFFFAOYSA-N |
| Mol Weight | 280.77 g/mol |
| Molecular Formula | C14H13ClO2S |
| Exact Mass | 280.032479 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FZ1bokNVl48 |
|---|---|
| Name | 4-(4-Chlorophenylsulfinyl)-2,5-dimethylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.032478531 u |
| Formula | C14H13ClO2S |
| InChI | InChI=1S/C14H13ClO2S/c1-9-8-14(10(2)7-13(9)16)18(17)12-5-3-11(15)4-6-12/h3-8,16H,1-2H3 |
| InChIKey | QZBCHXMHZAGDDU-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)S(=O)C1=CC=C(C=C1)Cl)C)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89327 |