| SpectraBase Compound ID | DPqHXTK0W6E |
|---|---|
| InChI | InChI=1S/C13H18BrClN2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2 |
| InChIKey | GKCRZVPPCINNAW-UHFFFAOYSA-N |
| Mol Weight | 317.66 g/mol |
| Molecular Formula | C13H18BrClN2 |
| Exact Mass | 316.034189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNzXmZc07MK |
|---|---|
| Name | 1-(3-Chlorophenyl)-4-(3-bromopropyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.034189288 u |
| Formula | C13H18BrClN2 |
| InChI | InChI=1S/C13H18BrClN2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2 |
| InChIKey | GKCRZVPPCINNAW-UHFFFAOYSA-N |
| Molecular Weight | 317.658 g/mol |
| SMILES | C1(N2CCN(CC2)CCCBr)=CC(=CC=C1)Cl |