| SpectraBase Compound ID | CglObwWznHd |
|---|---|
| InChI | InChI=1S/C12H9FN2O3/c13-8-1-3-11(4-2-8)18-12-6-9(14)5-10(7-12)15(16)17/h1-7H,14H2 |
| InChIKey | QOIWYTAGLVJORJ-UHFFFAOYSA-N |
| Mol Weight | 248.21 g/mol |
| Molecular Formula | C12H9FN2O3 |
| Exact Mass | 248.05972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JlYPaH4qefL |
|---|---|
| Name | 3-(4-Fluorophenoxy)-5-nitroaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.059720318 u |
| Formula | C12H9FN2O3 |
| InChI | InChI=1S/C12H9FN2O3/c13-8-1-3-11(4-2-8)18-12-6-9(14)5-10(7-12)15(16)17/h1-7H,14H2 |
| InChIKey | QOIWYTAGLVJORJ-UHFFFAOYSA-N |
| Molecular Weight | 248.213 g/mol |
| SMILES | C1=CC(OC2=CC(N(=O)=O)=CC(=C2)N)=CC=C1F |