| SpectraBase Compound ID | 4jEoEV55dti |
|---|---|
| InChI | InChI=1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 |
| InChIKey | FVZODFVCIDBDGS-UHFFFAOYSA-N |
| Mol Weight | 206.47 g/mol |
| Molecular Formula | C6H5BrClN |
| Exact Mass | 204.92939 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DyN5hCtHjES |
|---|---|
| Name | 3-Bromo-4-chloroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.929389865 u |
| Formula | C6H5BrClN |
| InChI | InChI=1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 |
| InChIKey | FVZODFVCIDBDGS-UHFFFAOYSA-N |
| SMILES | NC=1C=C(C(=CC1)Cl)Br |
| Spectrum/Structure Validation Score (Raman) | 0.910124 |