| SpectraBase Compound ID | FrtvDMKgGhm |
|---|---|
| InChI | InChI=1S/C9H11BrOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3 |
| InChIKey | JXLAOKSCTAHUCN-UHFFFAOYSA-N |
| Mol Weight | 247.15 g/mol |
| Molecular Formula | C9H11BrOS |
| Exact Mass | 245.971399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUqIO65eBw |
|---|---|
| Name | 1-((4-Bromophenyl)thio)propan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.971399147 u |
| Formula | C9H11BrOS |
| InChI | InChI=1S/C9H11BrOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3 |
| InChIKey | JXLAOKSCTAHUCN-UHFFFAOYSA-N |
| Molecular Weight | 247.150 g/mol |
| SMILES | C=1(C=CC(Br)=CC1)SCC(C)O |