| SpectraBase Compound ID | 9RLZdvtvVkt |
|---|---|
| InChI | InChI=1S/C13H12BrN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15H,10H2 |
| InChIKey | UFSVSYSCODIMCX-UHFFFAOYSA-N |
| Mol Weight | 262.15 g/mol |
| Molecular Formula | C13H12BrN |
| Exact Mass | 261.015312 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DaYXDSyD7lS |
|---|---|
| Name | N-(4-Bromobenzyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.015312390 u |
| Formula | C13H12BrN |
| InChI | InChI=1S/C13H12BrN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15H,10H2 |
| InChIKey | UFSVSYSCODIMCX-UHFFFAOYSA-N |
| SMILES | C1(NCC=2C=CC(=CC2)Br)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952034 |