SpectraBase Compound ID | CNR8jE9xcDS |
---|---|
InChI | InChI=1S/C18H21BrN2/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16/h2-9H,10-14H2,1H3 |
InChIKey | DJHUDCXHLQWMDJ-UHFFFAOYSA-N |
Mol Weight | 345.28 g/mol |
Molecular Formula | C18H21BrN2 |
Exact Mass | 344.088812 g/mol |
SpectraBase Spectrum ID | JVnYu3ZegEb |
---|---|
Name | 1-(4-Bromobenzyl)-4-(2-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/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16/h2-9H,10-14H2,1H3 |
InChIKey | DJHUDCXHLQWMDJ-UHFFFAOYSA-N |
Molecular Weight | 345.284 g/mol |
SMILES | C1(N2CCN(CC3=CC=C(C=C3)Br)CC2)=C(C=CC=C1)C |