| SpectraBase Compound ID | CMnV2v87fte |
|---|---|
| InChI | InChI=1S/C13H20OS/c1-10(2)13(14)11(3)9-15-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t11-,13-/m1/s1 |
| InChIKey | OCYWIOZUNBYICP-DGCLKSJQSA-N |
| Mol Weight | 224.36 g/mol |
| Molecular Formula | C13H20OS |
| Exact Mass | 224.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcB9BBIbCuX |
|---|---|
| Name | (2S*,3R*)-2,4-Dimethyl-1-phenylthio-3-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.123486437 u |
| Formula | C13H20OS |
| InChI | InChI=1S/C13H20OS/c1-10(2)13(14)11(3)9-15-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t11-,13-/m1/s1 |
| InChIKey | OCYWIOZUNBYICP-DGCLKSJQSA-N |
| Molecular Weight | 224.362 g/mol |
| SMILES | [C@@]([C@@](CSC1=CC=CC=C1)(C)[H])(C(C)C)(O)[H] |