| SpectraBase Compound ID | 65NgoWhUeBW |
|---|---|
| InChI | InChI=1S/C14H20O4S/c1-3-7-13(15)11(2)14(16)10-19(17,18)12-8-5-4-6-9-12/h3-6,8-9,11,13-16H,1,7,10H2,2H3/t11-,13+,14-/m1/s1 |
| InChIKey | CEQIKVJUNALBTR-KWCYVHTRSA-N |
| Mol Weight | 284.37 g/mol |
| Molecular Formula | C14H20O4S |
| Exact Mass | 284.10823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhIK2HET2ny |
|---|---|
| Name | (4S,5R,6S)-5-Methyl-7-phenylsulfonyl-1-heptene-4,6-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.108230294 u |
| Formula | C14H20O4S |
| InChI | InChI=1S/C14H20O4S/c1-3-7-13(15)11(2)14(16)10-19(17,18)12-8-5-4-6-9-12/h3-6,8-9,11,13-16H,1,7,10H2,2H3/t11-,13+,14-/m1/s1 |
| InChIKey | CEQIKVJUNALBTR-KWCYVHTRSA-N |
| SMILES | C(S(=O)(=O)C1=CC=CC=C1)[C@]([C@@]([C@@](O)(CC=C)[H])(C)[H])(O)[H] |