![4-[2-(2-Bromophenylthio)ethyl]pyridine](/api/spectrum/6EV9eLwj9H5/structure.png?h=300&w=458 "4-[2-(2-Bromophenylthio)ethyl]pyridine")
| SpectraBase Compound ID | JOt9CE2MIwn |
|---|---|
| InChI | InChI=1S/C13H12BrNS/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9H,7,10H2 |
| InChIKey | ZFHFSAZPQYKJLZ-UHFFFAOYSA-N |
| Mol Weight | 294.21 g/mol |
| Molecular Formula | C13H12BrNS |
| Exact Mass | 292.987384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6EV9eLwj9H5 |
|---|---|
| Name | 4-[2-(2-Bromophenylthio)ethyl]pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.987383564 u |
| Formula | C13H12BrNS |
| InChI | InChI=1S/C13H12BrNS/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9H,7,10H2 |
| InChIKey | ZFHFSAZPQYKJLZ-UHFFFAOYSA-N |
| Molecular Weight | 294.210 g/mol |
| SMILES | C1(=C(C=CC=C1)SCCC1=CC=NC=C1)Br |