| SpectraBase Compound ID | ACnVtfa5RkS |
|---|---|
| InChI | InChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)17-4-2-1-3-5-17/h1-9H,10-14H2 |
| InChIKey | WRAPDKOLIXFVMT-UHFFFAOYSA-N |
| Mol Weight | 331.26 g/mol |
| Molecular Formula | C17H19BrN2 |
| Exact Mass | 330.073162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCmyNjQDuAy |
|---|---|
| Name | 1-(4-Bromobenzyl)-4-phenylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.073161620 u |
| Formula | C17H19BrN2 |
| InChI | InChI=1S/C17H19BrN2/c18-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)17-4-2-1-3-5-17/h1-9H,10-14H2 |
| InChIKey | WRAPDKOLIXFVMT-UHFFFAOYSA-N |
| Molecular Weight | 331.257 g/mol |
| SMILES | C1(N2CCN(CC=3C=CC(=CC3)Br)CC2)=CC=CC=C1 |