| SpectraBase Compound ID | BB5PlEvnjh8 |
|---|---|
| InChI | InChI=1S/C6H3FN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H |
| InChIKey | ABJNSVIERCQTTE-UHFFFAOYSA-N |
| Mol Weight | 186.1 g/mol |
| Molecular Formula | C6H3FN2O4 |
| Exact Mass | 186.007685 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D4npG9KflGF |
|---|---|
| Name | 1,3-Dinitro-2-fluorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.007684744 u |
| Formula | C6H3FN2O4 |
| InChI | InChI=1S/C6H3FN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H |
| InChIKey | ABJNSVIERCQTTE-UHFFFAOYSA-N |
| Molecular Weight | 186.098 g/mol |
| SMILES | N(=O)(=O)C=1C=CC=C(C1F)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.95226 |