| SpectraBase Compound ID | 7nlpuHPNK2Y |
|---|---|
| InChI | InChI=1S/C18H21BrN2/c1-15-5-7-18(8-6-15)21-11-9-20(10-12-21)14-16-3-2-4-17(19)13-16/h2-8,13H,9-12,14H2,1H3 |
| InChIKey | VFBSRVMCFJVYBZ-UHFFFAOYSA-N |
| Mol Weight | 345.28 g/mol |
| Molecular Formula | C18H21BrN2 |
| Exact Mass | 344.088812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8zO1R8mSF5 |
|---|---|
| Name | 1-(3-Bromobenzyl)-4-(4-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/c1-15-5-7-18(8-6-15)21-11-9-20(10-12-21)14-16-3-2-4-17(19)13-16/h2-8,13H,9-12,14H2,1H3 |
| InChIKey | VFBSRVMCFJVYBZ-UHFFFAOYSA-N |
| Molecular Weight | 345.284 g/mol |
| SMILES | C=1(N2CCN(CC=3C=C(C=CC3)Br)CC2)C=CC(=CC1)C |