| SpectraBase Compound ID | KEa4p12j0k6 |
|---|---|
| InChI | InChI=1S/C13H8FNO4/c14-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)15(17)18/h1-8H |
| InChIKey | BZFUYRQJRALIGA-UHFFFAOYSA-N |
| Mol Weight | 261.21 g/mol |
| Molecular Formula | C13H8FNO4 |
| Exact Mass | 261.043736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qQ1sGIt3uI |
|---|---|
| Name | 4-Nitrobenzoic acid, 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.043735901 u |
| Formula | C13H8FNO4 |
| InChI | InChI=1S/C13H8FNO4/c14-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)15(17)18/h1-8H |
| InChIKey | BZFUYRQJRALIGA-UHFFFAOYSA-N |
| Molecular Weight | 261.208 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC1=C(C=CC=C1)F)=O)N(=O)=O |