![2-[2-(4-Chlorophenoxy)acetylamino]benzoic acid](/api/spectrum/3FKTtojV28G/structure.png?h=300&w=458 "2-[2-(4-Chlorophenoxy)acetylamino]benzoic acid")
| SpectraBase Compound ID | AxPvv7wb4Nt |
|---|---|
| InChI | InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) |
| InChIKey | LXSDGQYDSDIUPN-UHFFFAOYSA-N |
| Mol Weight | 305.72 g/mol |
| Molecular Formula | C15H12ClNO4 |
| Exact Mass | 305.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FKTtojV28G |
|---|---|
| Name | 2-[2-(4-Chlorophenoxy)acetylamino]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.045485566 u |
| Formula | C15H12ClNO4 |
| InChI | InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) |
| InChIKey | LXSDGQYDSDIUPN-UHFFFAOYSA-N |
| Molecular Weight | 305.717 g/mol |
| SMILES | C1(=C(NC(=O)COC=2C=CC(=CC2)Cl)C=CC=C1)C(=O)O |