| SpectraBase Compound ID | Iw3iNFFIgVR |
|---|---|
| InChI | InChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3 |
| InChIKey | WCOODAWUEIXTFL-UHFFFAOYSA-N |
| Mol Weight | 255.16 g/mol |
| Molecular Formula | C11H15BrN2 |
| Exact Mass | 254.041861 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D3JDdMPWkB2 |
|---|---|
| Name | 1-(4-Bromophenyl)-4-methylpiperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.041861491 u |
| Formula | C11H15BrN2 |
| InChI | InChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3 |
| InChIKey | WCOODAWUEIXTFL-UHFFFAOYSA-N |
| Molecular Weight | 255.159 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)N1CCN(CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880543 |