| SpectraBase Compound ID | EOXXmyEFRO8 |
|---|---|
| InChI | InChI=1S/C6H5BrN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2 |
| InChIKey | CGPPWNTVTNCHDO-UHFFFAOYSA-N |
| Mol Weight | 217.02 g/mol |
| Molecular Formula | C6H5BrN2O2 |
| Exact Mass | 215.95344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 17j5Jp7a2YL |
|---|---|
| Name | 2-Bromo-4-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.953440407 u |
| Formula | C6H5BrN2O2 |
| InChI | InChI=1S/C6H5BrN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2 |
| InChIKey | CGPPWNTVTNCHDO-UHFFFAOYSA-N |
| SMILES | NC1=C(C=C(C=C1)N(=O)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.944358 |