| SpectraBase Compound ID | BHXtDzxy6xE |
|---|---|
| InChI | InChI=1S/C12H15BrN2O/c1-10(16)14-5-7-15(8-6-14)12-4-2-3-11(13)9-12/h2-4,9H,5-8H2,1H3 |
| InChIKey | JWTAVYXDCUOFNP-UHFFFAOYSA-N |
| Mol Weight | 283.17 g/mol |
| Molecular Formula | C12H15BrN2O |
| Exact Mass | 282.036776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgoeEKY8oXY |
|---|---|
| Name | 1-(3-Bromophenyl)piperazine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.036776110 u |
| Formula | C12H15BrN2O |
| InChI | InChI=1S/C12H15BrN2O/c1-10(16)14-5-7-15(8-6-14)12-4-2-3-11(13)9-12/h2-4,9H,5-8H2,1H3 |
| InChIKey | JWTAVYXDCUOFNP-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC(=CC=C1)N1CCN(CC1)C(C)=O |