![2-Propanol, 1-[(phenylmethyl)sulfinyl]-, [S-(R*,S*)]-](/api/spectrum/FMOwJ7TrHZB/structure.png?h=300&w=458 "2-Propanol, 1-[(phenylmethyl)sulfinyl]-, [S-(R*,S*)]-")
| SpectraBase Compound ID | 9qahPZ6yE09 |
|---|---|
| InChI | InChI=1S/C10H14O2S/c1-9(11)7-13(12)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,13?/m1/s1 |
| InChIKey | DELKQWSEGKKYIK-CGCSKFHYSA-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 | FMOwJ7TrHZB |
|---|---|
| Name | 2-Propanol, 1-[(phenylmethyl)sulfinyl]-, [S-(R*,S*)]- |
| 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/c1-9(11)7-13(12)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,13?/m1/s1 |
| InChIKey | DELKQWSEGKKYIK-CGCSKFHYSA-N |
| Molecular Weight | 198.280 g/mol |
| SMILES | C([S@@](=O)CC=1C=CC=CC1)[C@](O)(C)[H] |