![3-[2-(4-Fluoroanilino)-2-oxoethoxy]benzoic acid](/api/spectrum/4DsWeAlfC6D/structure.png?h=300&w=458 "3-[2-(4-Fluoroanilino)-2-oxoethoxy]benzoic acid")
| SpectraBase Compound ID | KmnEK2V4Lao |
|---|---|
| InChI | InChI=1S/C15H12FNO4/c16-11-4-6-12(7-5-11)17-14(18)9-21-13-3-1-2-10(8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) |
| InChIKey | JVQKBINYWGCYFM-UHFFFAOYSA-N |
| Mol Weight | 289.26 g/mol |
| Molecular Formula | C15H12FNO4 |
| Exact Mass | 289.075036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4DsWeAlfC6D |
|---|---|
| Name | 3-[2-(4-Fluoroanilino)-2-oxoethoxy]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.075036029 u |
| Formula | C15H12FNO4 |
| InChI | InChI=1S/C15H12FNO4/c16-11-4-6-12(7-5-11)17-14(18)9-21-13-3-1-2-10(8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) |
| InChIKey | JVQKBINYWGCYFM-UHFFFAOYSA-N |
| Molecular Weight | 289.262 g/mol |
| SMILES | C1(F)=CC=C(C=C1)NC(=O)COC1=CC(C(O)=O)=CC=C1 |