| SpectraBase Compound ID | 23Z3urlZvVN |
|---|---|
| InChI | InChI=1S/C15H24O3S/c1-4-6-7-14(5-2)12-18-19(16,17)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3 |
| InChIKey | KYWZDAWYRTUKGJ-UHFFFAOYSA-N |
| Mol Weight | 284.41 g/mol |
| Molecular Formula | C15H24O3S |
| Exact Mass | 284.144616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XdaMDXlMWJ |
|---|---|
| Name | Benzenesulfonic acid, 4-methyl-, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.144615804 u |
| Formula | C15H24O3S |
| InChI | InChI=1S/C15H24O3S/c1-4-6-7-14(5-2)12-18-19(16,17)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3 |
| InChIKey | KYWZDAWYRTUKGJ-UHFFFAOYSA-N |
| SMILES | CCCCC(COS(=O)(=O)C1=CC=C(C=C1)C)CC |