![(2S,3R)-3-methyl-4-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]butan-2-ol](/api/spectrum/2QWw7Qn2w11/structure.png?h=300&w=458 "(2S,3R)-3-methyl-4-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]butan-2-ol")
| SpectraBase Compound ID | 3jpbkprAKCt |
|---|---|
| InChI | InChI=1S/C14H22O4S/c1-9-6-10(2)14(11(3)7-9)19(16,17)18-8-12(4)13(5)15/h6-7,12-13,15H,8H2,1-5H3/t12-,13+/m1/s1 |
| InChIKey | NOHMIFNFWOTGMJ-OLZOCXBDSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C14H22O4S |
| Exact Mass | 286.12388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QWw7Qn2w11 |
|---|---|
| Name | (2S,3R)-3-Methyl-4-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]butan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.123880358 u |
| Formula | C14H22O4S |
| InChI | InChI=1S/C14H22O4S/c1-9-6-10(2)14(11(3)7-9)19(16,17)18-8-12(4)13(5)15/h6-7,12-13,15H,8H2,1-5H3/t12-,13+/m1/s1 |
| InChIKey | NOHMIFNFWOTGMJ-OLZOCXBDSA-N |
| SMILES | C=1(S(OC[C@]([C@@](O)(C)[H])(C)[H])(=O)=O)C(=CC(=CC1C)C)C |