| SpectraBase Compound ID | 8QC8NLysXA1 |
|---|---|
| InChI | InChI=1S/C8H5FN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3 |
| InChIKey | ONWYSHWKVSVXQQ-UHFFFAOYSA-N |
| Mol Weight | 244.13 g/mol |
| Molecular Formula | C8H5FN2O6 |
| Exact Mass | 244.013164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YdYVTkPWZf |
|---|---|
| Name | Methyl 2-fluoro-3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.013164046 u |
| Formula | C8H5FN2O6 |
| InChI | InChI=1S/C8H5FN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3 |
| InChIKey | ONWYSHWKVSVXQQ-UHFFFAOYSA-N |
| Molecular Weight | 244.134 g/mol |
| SMILES | C1(F)=C(C=C(C=C1C(=O)OC)N(=O)=O)N(=O)=O |