![[3-(Aminomethyl)-5-bromophenyl]methanamine](/api/spectrum/HGtXVfNigO9/structure.png?h=300&w=458 "[3-(Aminomethyl)-5-bromophenyl]methanamine")
| SpectraBase Compound ID | KtRfEYWZQxS |
|---|---|
| InChI | InChI=1S/C8H11BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H,4-5,10-11H2 |
| InChIKey | RBEGEZOSEBRJAY-UHFFFAOYSA-N |
| Mol Weight | 215.09 g/mol |
| Molecular Formula | C8H11BrN2 |
| Exact Mass | 214.010561 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HGtXVfNigO9 |
|---|---|
| Name | [3-(Aminomethyl)-5-bromophenyl]methanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.010561362 u |
| Formula | C8H11BrN2 |
| InChI | InChI=1S/C8H11BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H,4-5,10-11H2 |
| InChIKey | RBEGEZOSEBRJAY-UHFFFAOYSA-N |
| Molecular Weight | 215.094 g/mol |
| SMILES | C1(=CC(CN)=CC(=C1)CN)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919866 |