| SpectraBase Compound ID | 5WaDqdt6fnX |
|---|---|
| InChI | InChI=1S/C11H13BrOS/c1-11(2,3)10(13)14-9-6-4-8(12)5-7-9/h4-7H,1-3H3 |
| InChIKey | WSSQJINRBXMPCG-UHFFFAOYSA-N |
| Mol Weight | 273.19 g/mol |
| Molecular Formula | C11H13BrOS |
| Exact Mass | 271.987049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fg1GxeAZnDg |
|---|---|
| Name | 4-Bromothiophenol, S-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.987049212 u |
| Formula | C11H13BrOS |
| InChI | InChI=1S/C11H13BrOS/c1-11(2,3)10(13)14-9-6-4-8(12)5-7-9/h4-7H,1-3H3 |
| InChIKey | WSSQJINRBXMPCG-UHFFFAOYSA-N |
| SMILES | C1(SC(C(C)(C)C)=O)=CC=C(C=C1)Br |