| SpectraBase Compound ID | CAnEGgJYlEs |
|---|---|
| InChI | InChI=1S/C12H18O3S/c1-9-4-6-12(7-5-9)16(14,15)8-10(2)11(3)13/h4-7,10-11,13H,8H2,1-3H3 |
| InChIKey | LUDHNHXDTQHKSY-UHFFFAOYSA-N |
| Mol Weight | 242.33 g/mol |
| Molecular Formula | C12H18O3S |
| Exact Mass | 242.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SC66FuORcI |
|---|---|
| Name | (Threo/erythro)-3-methyl-4-tosyl-2-butanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.097665611 u |
| Formula | C12H18O3S |
| InChI | InChI=1S/C12H18O3S/c1-9-4-6-12(7-5-9)16(14,15)8-10(2)11(3)13/h4-7,10-11,13H,8H2,1-3H3 |
| InChIKey | LUDHNHXDTQHKSY-UHFFFAOYSA-N |
| Molecular Weight | 242.333 g/mol |
| SMILES | C(S(C=1C=CC(=CC1)C)(=O)=O)C(C(O)C)C |