| SpectraBase Compound ID | 92z4XJVgmWE |
|---|---|
| InChI | InChI=1S/C16H24O2S/c1-4-9-15(18-13(3)17)16(10-5-2)19-14-11-7-6-8-12-14/h6-8,11-12,15-16H,4-5,9-10H2,1-3H3/t15-,16+/m1/s1 |
| InChIKey | FRFHNCVXTMDXRC-CVEARBPZSA-N |
| Mol Weight | 280.43 g/mol |
| Molecular Formula | C16H24O2S |
| Exact Mass | 280.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZUeVoNOLBG |
|---|---|
| Name | (4R*,5S*)-5-Phenylthio-4-octanol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.149701185 u |
| Formula | C16H24O2S |
| InChI | InChI=1S/C16H24O2S/c1-4-9-15(18-13(3)17)16(10-5-2)19-14-11-7-6-8-12-14/h6-8,11-12,15-16H,4-5,9-10H2,1-3H3/t15-,16+/m1/s1 |
| InChIKey | FRFHNCVXTMDXRC-CVEARBPZSA-N |
| SMILES | [C@](SC1=CC=CC=C1)([C@](OC(=O)C)(CCC)[H])(CCC)[H] |