| SpectraBase Compound ID | nFFWCvLSXy |
|---|---|
| InChI | InChI=1S/C7H5Br2NO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3 |
| InChIKey | XTMGEWKAQQAYST-UHFFFAOYSA-N |
| Mol Weight | 294.93 g/mol |
| Molecular Formula | C7H5Br2NO2 |
| Exact Mass | 292.868704 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3FNh0XPfgpf |
|---|---|
| Name | 3,4-Dibromo-5-nitrotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.868704403 u |
| Formula | C7H5Br2NO2 |
| InChI | InChI=1S/C7H5Br2NO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3 |
| InChIKey | XTMGEWKAQQAYST-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=C(C=C(C1Br)Br)C |
| Spectrum/Structure Validation Score (Raman) | 0.826585 |