| SpectraBase Compound ID | 8POtWXKrWP6 |
|---|---|
| InChI | InChI=1S/C14H21BrN2/c1-2-7-16-8-10-17(11-9-16)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3 |
| InChIKey | CWDGHCZAMGVODS-UHFFFAOYSA-N |
| Mol Weight | 297.24 g/mol |
| Molecular Formula | C14H21BrN2 |
| Exact Mass | 296.088812 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 68nP6SPoLlh |
|---|---|
| Name | 1-(4-Bromobenzyl)-4-propylpiperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.088811684 u |
| Formula | C14H21BrN2 |
| InChI | InChI=1S/C14H21BrN2/c1-2-7-16-8-10-17(11-9-16)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3 |
| InChIKey | CWDGHCZAMGVODS-UHFFFAOYSA-N |
| SMILES | C(N1CCN(CC1)CCC)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859198 |