| SpectraBase Compound ID | G9z1v4xPA6x |
|---|---|
| InChI | InChI=1S/C15H18BrN3O/c16-13-2-3-14-12(11-13)1-4-15(17-14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10H2 |
| InChIKey | XJSLXFLHTNJUHV-UHFFFAOYSA-N |
| Mol Weight | 336.23 g/mol |
| Molecular Formula | C15H18BrN3O |
| Exact Mass | 335.063325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cXOmi77jgn |
|---|---|
| Name | 6-Bromo-2-(4-(2-hydroxy)ethylpiperazin-1-yl)quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.063325211 u |
| Formula | C15H18BrN3O |
| InChI | InChI=1S/C15H18BrN3O/c16-13-2-3-14-12(11-13)1-4-15(17-14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10H2 |
| InChIKey | XJSLXFLHTNJUHV-UHFFFAOYSA-N |
| Molecular Weight | 336.233 g/mol |
| SMILES | C1(=NC=2C(C=C1)=CC(=CC2)Br)N1CCN(CC1)CCO |