| SpectraBase Compound ID | I3KAf9l8Tik |
|---|---|
| InChI | InChI=1S/C17H20BrN3/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17/h1-8H,9-14H2 |
| InChIKey | CKIYIAMDUUCBGO-UHFFFAOYSA-N |
| Mol Weight | 346.27 g/mol |
| Molecular Formula | C17H20BrN3 |
| Exact Mass | 345.084061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19hgJwzDGGW |
|---|---|
| Name | 1-(4-Bromobenzyl)-4-(2-pyridinylmethyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.084060656 u |
| Formula | C17H20BrN3 |
| InChI | InChI=1S/C17H20BrN3/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17/h1-8H,9-14H2 |
| InChIKey | CKIYIAMDUUCBGO-UHFFFAOYSA-N |
| Molecular Weight | 346.272 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)CN1CCN(CC1)CC1=NC=CC=C1 |