| SpectraBase Compound ID | FgVwb5gkkXy |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | PGSVHCSBWULHHW-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H16OS |
| Exact Mass | 208.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24ppQWKCEqA |
|---|---|
| Name | 4-Tert-butylbenzenethiol, S-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.092186308 u |
| Formula | C12H16OS |
| InChI | InChI=1S/C12H16OS/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | PGSVHCSBWULHHW-UHFFFAOYSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)SC(C)=O |