![4-[3-(2-Fluorophenyl)ureido]benzoic acid, ethyl ester](/api/spectrum/LLGND13asPD/structure.png?h=300&w=458 "4-[3-(2-Fluorophenyl)ureido]benzoic acid, ethyl ester")
| SpectraBase Compound ID | Jn7k5Qz5uDT |
|---|---|
| InChI | InChI=1S/C16H15FN2O3/c1-2-22-15(20)11-7-9-12(10-8-11)18-16(21)19-14-6-4-3-5-13(14)17/h3-10H,2H2,1H3,(H2,18,19,21) |
| InChIKey | VBTZVXMYIIFSRH-UHFFFAOYSA-N |
| Mol Weight | 302.31 g/mol |
| Molecular Formula | C16H15FN2O3 |
| Exact Mass | 302.106671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLGND13asPD |
|---|---|
| Name | 4-[3-(2-Fluorophenyl)ureido]benzoic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.106670511 u |
| Formula | C16H15FN2O3 |
| InChI | InChI=1S/C16H15FN2O3/c1-2-22-15(20)11-7-9-12(10-8-11)18-16(21)19-14-6-4-3-5-13(14)17/h3-10H,2H2,1H3,(H2,18,19,21) |
| InChIKey | VBTZVXMYIIFSRH-UHFFFAOYSA-N |
| Molecular Weight | 302.305 g/mol |
| SMILES | C1(F)=C(C=CC=C1)NC(=O)NC1=CC=C(C=C1)C(=O)OCC |