| SpectraBase Compound ID | JIkIR2lflmT |
|---|---|
| InChI | InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H |
| InChIKey | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
| Mol Weight | 220.0 g/mol |
| Molecular Formula | C6H3BrFNO2 |
| Exact Mass | 218.93312 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8BvMWypD5hL |
|---|---|
| Name | 3-Bromo-4-fluoro-1-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.933119502 u |
| Formula | C6H3BrFNO2 |
| InChI | InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H |
| InChIKey | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
| Molecular Weight | 219.997 g/mol |
| SMILES | C1(N(=O)=O)=CC(Br)=C(F)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908867 |