| SpectraBase Compound ID | HcPPY7ry6RT |
|---|---|
| InChI | InChI=1S/C13H10FNO2/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h1-8H,15H2 |
| InChIKey | SQSWOZPTGULKDF-UHFFFAOYSA-N |
| Mol Weight | 231.23 g/mol |
| Molecular Formula | C13H10FNO2 |
| Exact Mass | 231.069557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5b5SygjYru0 |
|---|---|
| Name | Phenyl 2-amino-5-fluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.069556727 u |
| Formula | C13H10FNO2 |
| InChI | InChI=1S/C13H10FNO2/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h1-8H,15H2 |
| InChIKey | SQSWOZPTGULKDF-UHFFFAOYSA-N |
| Molecular Weight | 231.226 g/mol |
| SMILES | C=1(C=C(C(N)=CC1)C(OC1=CC=CC=C1)=O)F |