| SpectraBase Compound ID | 22DZLKDLsdv |
|---|---|
| InChI | InChI=1S/C17H20O3S/c1-4-14(3)16-7-5-6-8-17(16)20-21(18,19)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3 |
| InChIKey | LKLVXQGKPOGRBA-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 | 95bVY1bEElN |
|---|---|
| Name | 2-sec-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/c1-4-14(3)16-7-5-6-8-17(16)20-21(18,19)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3 |
| InChIKey | LKLVXQGKPOGRBA-UHFFFAOYSA-N |
| Molecular Weight | 304.404 g/mol |
| SMILES | C(CC)(C)C1=C(OS(C2=CC=C(C=C2)C)(=O)=O)C=CC=C1 |