| SpectraBase Compound ID | 4xc7DYgZcmi |
|---|---|
| InChI | InChI=1S/C6H3BrFNO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H |
| InChIKey | ACQVEWFMUBXEMR-UHFFFAOYSA-N |
| Mol Weight | 236.0 g/mol |
| Molecular Formula | C6H3BrFNO3 |
| Exact Mass | 234.928034 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EshjkT8LVqd |
|---|---|
| Name | 4-Bromo-2-fluoro-6-nitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.928034121 u |
| Formula | C6H3BrFNO3 |
| InChI | InChI=1S/C6H3BrFNO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H |
| InChIKey | ACQVEWFMUBXEMR-UHFFFAOYSA-N |
| Molecular Weight | 235.996 g/mol |
| SMILES | C1(Br)=CC(=C(C(=C1)[N+](=O)[O-])O)F |
| Spectrum/Structure Validation Score (Raman) | 0.815409 |