![(+-)-1-[(2'R*,3'S*)-2'-phenylthio-3'-hydroxyhexyl]piperidine](/api/spectrum/784PJfOslHg/structure.png?h=300&w=458 "(+-)-1-[(2'R*,3'S*)-2'-phenylthio-3'-hydroxyhexyl]piperidine")
| SpectraBase Compound ID | Hi5wBiHz7jO |
|---|---|
| InChI | InChI=1S/C17H27NOS/c1-2-9-16(19)17(14-18-12-7-4-8-13-18)20-15-10-5-3-6-11-15/h3,5-6,10-11,16-17,19H,2,4,7-9,12-14H2,1H3/t16-,17+/m0/s1 |
| InChIKey | PXUBVQYTPQFMLX-DLBZAZTESA-N |
| Mol Weight | 293.47 g/mol |
| Molecular Formula | C17H27NOS |
| Exact Mass | 293.181336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 784PJfOslHg |
|---|---|
| Name | (+-)-1-[(2'R*,3'S*)-2'-phenylthio-3'-hydroxyhexyl]piperidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.181335666 u |
| Formula | C17H27NOS |
| InChI | InChI=1S/C17H27NOS/c1-2-9-16(19)17(14-18-12-7-4-8-13-18)20-15-10-5-3-6-11-15/h3,5-6,10-11,16-17,19H,2,4,7-9,12-14H2,1H3/t16-,17+/m0/s1 |
| InChIKey | PXUBVQYTPQFMLX-DLBZAZTESA-N |
| SMILES | [C@](SC1=CC=CC=C1)(CN1CCCCC1)([C@@](O)(CCC)[H])[H] |