| SpectraBase Compound ID | CMeOjgcBVxm |
|---|---|
| InChI | InChI=1S/C12H17BrN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3 |
| InChIKey | CXAOXDKQUDHTBK-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 | 5QBCm3Du5t1 |
|---|---|
| Name | 1-[(4-Bromophenyl)methyl]-4-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/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3 |
| InChIKey | CXAOXDKQUDHTBK-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)Br)N1CCN(CC1)C |