| SpectraBase Compound ID | 2liKtuRVaUe |
|---|---|
| InChI | InChI=1S/C21H24O4S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11H2,1H3 |
| InChIKey | JYNJFIOIAYTRJQ-UHFFFAOYSA-N |
| Mol Weight | 372.48 g/mol |
| Molecular Formula | C21H24O4S |
| Exact Mass | 372.13953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75vaZ8Qg0G8 |
|---|---|
| Name | 1'-Cyclohexyl-2'-oxo-2'-phenylethyl 4-methylbenzene-1-sulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.139530423 u |
| Formula | C21H24O4S |
| InChI | InChI=1S/C21H24O4S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18,21H,3,6-7,10-11H2,1H3 |
| InChIKey | JYNJFIOIAYTRJQ-UHFFFAOYSA-N |
| Molecular Weight | 372.479 g/mol |
| SMILES | C(OS(C1=CC=C(C=C1)C)(=O)=O)(C(=O)C=1C=CC=CC1)C1CCCCC1 |