| SpectraBase Compound ID | 40NLhS4lClF |
|---|---|
| InChI | InChI=1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H |
| InChIKey | AUQBBDWDLJSKMI-UHFFFAOYSA-N |
| Mol Weight | 159.09 g/mol |
| Molecular Formula | C6H3F2NO2 |
| Exact Mass | 159.013185 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9EmCfIX9tpH |
|---|---|
| Name | 3,5-Difluoro-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.013184665 u |
| Formula | C6H3F2NO2 |
| InChI | InChI=1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H |
| InChIKey | AUQBBDWDLJSKMI-UHFFFAOYSA-N |
| Molecular Weight | 159.092 g/mol |
| SMILES | C1(F)=CC(=CC(=C1)F)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.939443 |