| SpectraBase Compound ID | B7SHQjddZJH |
|---|---|
| InChI | InChI=1S/C16H24O3S/c1-3-4-5-7-10-15(19-14(2)17)13-20(18)16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13H2,1-2H3 |
| InChIKey | UQBJSPHWYPBRSP-UHFFFAOYSA-N |
| Mol Weight | 296.43 g/mol |
| Molecular Formula | C16H24O3S |
| Exact Mass | 296.144616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9sKhhHAybwo |
|---|---|
| Name | 2-Octanol, 1-(phenylsulfinyl)-, acetate, (R*,S*)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.144615804 u |
| Formula | C16H24O3S |
| InChI | InChI=1S/C16H24O3S/c1-3-4-5-7-10-15(19-14(2)17)13-20(18)16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13H2,1-2H3 |
| InChIKey | UQBJSPHWYPBRSP-UHFFFAOYSA-N |
| SMILES | C(S(=O)C=1C=CC=CC1)C(OC(=O)C)CCCCCC |