| SpectraBase Compound ID | 4qVzD2MjvoE |
|---|---|
| InChI | InChI=1S/C14H11BrOS/c1-10(16)17-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,1H3 |
| InChIKey | KUHRDYOUPGFWHJ-UHFFFAOYSA-N |
| Mol Weight | 307.21 g/mol |
| Molecular Formula | C14H11BrOS |
| Exact Mass | 305.971399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L28ZyescYJL |
|---|---|
| Name | 4'-Bromo-4-mercaptobiphenyl, S-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.971399147 u |
| Formula | C14H11BrOS |
| InChI | InChI=1S/C14H11BrOS/c1-10(16)17-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,1H3 |
| InChIKey | KUHRDYOUPGFWHJ-UHFFFAOYSA-N |
| Molecular Weight | 307.205 g/mol |
| SMILES | C1(SC(C)=O)=CC=C(C=C1)C1=CC=C(C=C1)Br |