| SpectraBase Compound ID | 4fxGPB5O0Jm |
|---|---|
| InChI | InChI=1S/C17H20O3S/c1-13-5-11-16(12-6-13)21(18,19)20-15-9-7-14(8-10-15)17(2,3)4/h5-12H,1-4H3 |
| InChIKey | SUCZYFLKGVGAFM-UHFFFAOYSA-N |
| Mol Weight | 304.4 g/mol |
| Molecular Formula | C17H20O3S |
| Exact Mass | 304.113316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVilUU6hIZZ |
|---|---|
| Name | 4-Tert-butylphenol tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.113315675 u |
| Formula | C17H20O3S |
| InChI | InChI=1S/C17H20O3S/c1-13-5-11-16(12-6-13)21(18,19)20-15-9-7-14(8-10-15)17(2,3)4/h5-12H,1-4H3 |
| InChIKey | SUCZYFLKGVGAFM-UHFFFAOYSA-N |
| Molecular Weight | 304.404 g/mol |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)OS(C1=CC=C(C=C1)C)(=O)=O |