| SpectraBase Compound ID | Bw1Vet9it9x |
|---|---|
| InChI | InChI=1S/C21H36O4S/c1-3-5-6-7-8-9-13-17-20(23)21(19(22)14-4-2)26(24,25)18-15-11-10-12-16-18/h10-12,15-16,19-23H,3-9,13-14,17H2,1-2H3 |
| InChIKey | WKJRTZPDGLFTIA-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C21H36O4S |
| Exact Mass | 384.233431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cB4iRvfJq1 |
|---|---|
| Name | 5-Phenylsulphonylpentadecane-4,6-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.233430809 u |
| Formula | C21H36O4S |
| InChI | InChI=1S/C21H36O4S/c1-3-5-6-7-8-9-13-17-20(23)21(19(22)14-4-2)26(24,25)18-15-11-10-12-16-18/h10-12,15-16,19-23H,3-9,13-14,17H2,1-2H3 |
| InChIKey | WKJRTZPDGLFTIA-UHFFFAOYSA-N |
| Molecular Weight | 384.575 g/mol |
| SMILES | C(S(=O)(=O)C=1C=CC=CC1)(C(O)CCC)C(O)CCCCCCCCC |