![(2S)-1-[(R)-(4-methylphenyl)sulfinyl]-2-propanol](/api/spectrum/EWUtQNvYfVB/structure.png?h=300&w=458 "(2S)-1-[(R)-(4-methylphenyl)sulfinyl]-2-propanol")
| SpectraBase Compound ID | 2KjFlGh9Bjs |
|---|---|
| InChI | InChI=1S/C10H14O2S/c1-8-3-5-10(6-4-8)13(12)7-9(2)11/h3-6,9,11H,7H2,1-2H3/t9-,13?/m0/s1 |
| InChIKey | NBKKIONKSZXVKW-LLTODGECSA-N |
| Mol Weight | 198.28 g/mol |
| Molecular Formula | C10H14O2S |
| Exact Mass | 198.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWUtQNvYfVB |
|---|---|
| Name | (2S)-1-[(R)-(4-Methylphenyl)sulfinyl]-2-propanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.071450863 u |
| Formula | C10H14O2S |
| InChI | InChI=1S/C10H14O2S/c1-8-3-5-10(6-4-8)13(12)7-9(2)11/h3-6,9,11H,7H2,1-2H3/t9-,13?/m0/s1 |
| InChIKey | NBKKIONKSZXVKW-LLTODGECSA-N |
| Molecular Weight | 198.280 g/mol |
| SMILES | C([S@](C=1C=CC(=CC1)C)=O)[C@@](O)(C)[H] |