| SpectraBase Compound ID | G0k9qYdhFJa |
|---|---|
| InChI | InChI=1S/C17H26O5S/c1-14-8-10-15(11-9-14)23(21,22)17(7-3-5-13-19)16(20)6-2-4-12-18/h8-11,17-19H,2-7,12-13H2,1H3 |
| InChIKey | HKUKDQCFLQXFBK-UHFFFAOYSA-N |
| Mol Weight | 342.45 g/mol |
| Molecular Formula | C17H26O5S |
| Exact Mass | 342.150095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6gQiEcwls1 |
|---|---|
| Name | 1,10-Dihydroxy-6-(4-methylphenyl)sulfonyldecan-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.150095106 u |
| Formula | C17H26O5S |
| InChI | InChI=1S/C17H26O5S/c1-14-8-10-15(11-9-14)23(21,22)17(7-3-5-13-19)16(20)6-2-4-12-18/h8-11,17-19H,2-7,12-13H2,1H3 |
| InChIKey | HKUKDQCFLQXFBK-UHFFFAOYSA-N |
| Molecular Weight | 342.450 g/mol |
| SMILES | C(CCCC(C(CCCCO)S(=O)(=O)C=1C=CC(=CC1)C)=O)O |