| SpectraBase Compound ID | DJHAzuVcHvH |
|---|---|
| InChI | InChI=1S/C17H24O2S/c1-12-6-8-14(9-7-12)15(10-13(2)18)11-16(19)20-17(3,4)5/h6-9,15H,10-11H2,1-5H3/t15-/m0/s1 |
| InChIKey | OJYXHHZLKZJPAX-HNNXBMFYSA-N |
| Mol Weight | 292.44 g/mol |
| Molecular Formula | C17H24O2S |
| Exact Mass | 292.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcjwDIJryhU |
|---|---|
| Name | S-Tert-butyl (S)-5-oxo-3-(4-methylphenyl)hexanethioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.149701185 u |
| Formula | C17H24O2S |
| InChI | InChI=1S/C17H24O2S/c1-12-6-8-14(9-7-12)15(10-13(2)18)11-16(19)20-17(3,4)5/h6-9,15H,10-11H2,1-5H3/t15-/m0/s1 |
| InChIKey | OJYXHHZLKZJPAX-HNNXBMFYSA-N |
| SMILES | C(C[C@](CC(C)=O)(C=1C=CC(=CC1)C)[H])(=O)SC(C)(C)C |