| SpectraBase Compound ID | D8WkHV5JpuU |
|---|---|
| InChI | InChI=1S/C7H7BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2 |
| InChIKey | XWTVJPXDXFSEIH-UHFFFAOYSA-N |
| Mol Weight | 204.04 g/mol |
| Molecular Formula | C7H7BrFN |
| Exact Mass | 202.97459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 35cBo9stymK |
|---|---|
| Name | 2-Bromo-6-fluorobenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.974590392 u |
| Formula | C7H7BrFN |
| InChI | InChI=1S/C7H7BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2 |
| InChIKey | XWTVJPXDXFSEIH-UHFFFAOYSA-N |
| Molecular Weight | 204.042 g/mol |
| SMILES | C(N)C1=C(C=CC=C1F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803387 |