| SpectraBase Compound ID | BqxGQNJ9Ch1 |
|---|---|
| InChI | InChI=1S/C10H12BrN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2 |
| InChIKey | GLGKPGNDJXTNEF-UHFFFAOYSA-N |
| Mol Weight | 226.12 g/mol |
| Molecular Formula | C10H12BrN |
| Exact Mass | 225.015312 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 40lEHKGYSOE |
|---|---|
| Name | N-(4-Bromobenzyl)cyclopropanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.015312390 u |
| Formula | C10H12BrN |
| InChI | InChI=1S/C10H12BrN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2 |
| InChIKey | GLGKPGNDJXTNEF-UHFFFAOYSA-N |
| Molecular Weight | 226.117 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)CNC1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915522 |