| SpectraBase Compound ID | I35pVXImp6J |
|---|---|
| InChI | InChI=1S/C10H11BrOS/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3 |
| InChIKey | QGOTXBISXHCJFU-UHFFFAOYSA-N |
| Mol Weight | 259.16 g/mol |
| Molecular Formula | C10H11BrOS |
| Exact Mass | 257.971399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HrvOetWoXU |
|---|---|
| Name | 4-Bromothiophenol, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.971399147 u |
| Formula | C10H11BrOS |
| InChI | InChI=1S/C10H11BrOS/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3 |
| InChIKey | QGOTXBISXHCJFU-UHFFFAOYSA-N |
| Molecular Weight | 259.161 g/mol |
| SMILES | C1(SC(C(C)C)=O)=CC=C(C=C1)Br |