![Piperazine, 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)-](/api/spectrum/8fcbMaNRg4Z/structure.png?h=300&w=458 "Piperazine, 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)-")
| SpectraBase Compound ID | BjIfgiMS69p |
|---|---|
| InChI | InChI=1S/C18H21BrN2O/c1-22-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-15-6-8-16(19)9-7-15/h2-9H,10-14H2,1H3 |
| InChIKey | FJVYRIPCWAORAE-UHFFFAOYSA-N |
| Mol Weight | 361.28 g/mol |
| Molecular Formula | C18H21BrN2O |
| Exact Mass | 360.083726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fcbMaNRg4Z |
|---|---|
| Name | Piperazine, 1-[(4-bromophenyl)methyl]-4-(2-methoxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.083726303 u |
| Formula | C18H21BrN2O |
| InChI | InChI=1S/C18H21BrN2O/c1-22-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-15-6-8-16(19)9-7-15/h2-9H,10-14H2,1H3 |
| InChIKey | FJVYRIPCWAORAE-UHFFFAOYSA-N |
| Molecular Weight | 361.283 g/mol |
| SMILES | C=1C=CC(N2CCN(CC2)CC2=CC=C(C=C2)Br)=C(OC)C1 |