| SpectraBase Compound ID | BZksOi6rx3m |
|---|---|
| InChI | InChI=1S/C12H17BrN2/c1-10-8-15(7-6-14-10)9-11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3 |
| InChIKey | HXRLFCDCVWUCFA-UHFFFAOYSA-N |
| Mol Weight | 269.19 g/mol |
| Molecular Formula | C12H17BrN2 |
| Exact Mass | 268.057512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8aAARPxJdd |
|---|---|
| Name | 1-(4-Bromobenzyl)-3-methylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.057511555 u |
| Formula | C12H17BrN2 |
| InChI | InChI=1S/C12H17BrN2/c1-10-8-15(7-6-14-10)9-11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3 |
| InChIKey | HXRLFCDCVWUCFA-UHFFFAOYSA-N |
| SMILES | C(N1CC(NCC1)C)C=1C=CC(=CC1)Br |