| SpectraBase Compound ID | 5JeGivWXxFP |
|---|---|
| InChI | InChI=1S/C14H21BrN2/c1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13/h3-5,10,12H,6-9,11H2,1-2H3 |
| InChIKey | YKRGXSXJCWBHBP-UHFFFAOYSA-N |
| Mol Weight | 297.24 g/mol |
| Molecular Formula | C14H21BrN2 |
| Exact Mass | 296.088812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbT5p5ZpU9W |
|---|---|
| Name | 1-(3-Bromobenzyl)-4-isopropylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.088811684 u |
| Formula | C14H21BrN2 |
| InChI | InChI=1S/C14H21BrN2/c1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13/h3-5,10,12H,6-9,11H2,1-2H3 |
| InChIKey | YKRGXSXJCWBHBP-UHFFFAOYSA-N |
| SMILES | C=1(CN2CCN(CC2)C(C)C)C=C(C=CC1)Br |