![2-[2-(4-Methylphenoxy)ethanoylamino]benzoic acid](/api/spectrum/21T7EkQvkuG/structure.png?h=300&w=458 "2-[2-(4-Methylphenoxy)ethanoylamino]benzoic acid")
| SpectraBase Compound ID | IwwqFcvoCQW |
|---|---|
| InChI | InChI=1S/C16H15NO4/c1-11-6-8-12(9-7-11)21-10-15(18)17-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | LRDLJPISQQAXCH-UHFFFAOYSA-N |
| Mol Weight | 285.3 g/mol |
| Molecular Formula | C16H15NO4 |
| Exact Mass | 285.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21T7EkQvkuG |
|---|---|
| Name | 2-[2-(4-Methylphenoxy)ethanoylamino]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.100107963 u |
| Formula | C16H15NO4 |
| InChI | InChI=1S/C16H15NO4/c1-11-6-8-12(9-7-11)21-10-15(18)17-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | LRDLJPISQQAXCH-UHFFFAOYSA-N |
| Molecular Weight | 285.299 g/mol |
| SMILES | C=1(C(NC(=O)COC=2C=CC(=CC2)C)=CC=CC1)C(=O)O |