| SpectraBase Compound ID | Ax59Ztfbiyl |
|---|---|
| InChI | InChI=1S/C18H21BrN2/c1-15-3-2-4-18(13-15)21-11-9-20(10-12-21)14-16-5-7-17(19)8-6-16/h2-8,13H,9-12,14H2,1H3 |
| InChIKey | WAKBEMBZVBXDKZ-UHFFFAOYSA-N |
| Mol Weight | 345.28 g/mol |
| Molecular Formula | C18H21BrN2 |
| Exact Mass | 344.088812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hvp31BQThKi |
|---|---|
| Name | 1-(4-Bromobenzyl)-4-(3-methylphenyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.088811684 u |
| Formula | C18H21BrN2 |
| InChI | InChI=1S/C18H21BrN2/c1-15-3-2-4-18(13-15)21-11-9-20(10-12-21)14-16-5-7-17(19)8-6-16/h2-8,13H,9-12,14H2,1H3 |
| InChIKey | WAKBEMBZVBXDKZ-UHFFFAOYSA-N |
| Molecular Weight | 345.284 g/mol |
| SMILES | C1(N2CCN(CC=3C=CC(=CC3)Br)CC2)=CC(=CC=C1)C |