![3-[(2,4-Dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid](/api/spectrum/1QHAyjWQswt/structure.png?h=300&w=458 "3-[(2,4-Dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid")
| SpectraBase Compound ID | FFxt4XrMsYh |
|---|---|
| InChI | InChI=1S/C19H19Cl2NO4/c1-2-9-26-14-6-3-12(4-7-14)17(11-18(23)24)22-19(25)15-8-5-13(20)10-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24) |
| InChIKey | OPCIPTMOZIXPGV-UHFFFAOYSA-N |
| Mol Weight | 396.27 g/mol |
| Molecular Formula | C19H19Cl2NO4 |
| Exact Mass | 395.069113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1QHAyjWQswt |
|---|---|
| Name | 3-[(2,4-Dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.069113492 u |
| Formula | C19H19Cl2NO4 |
| InChI | InChI=1S/C19H19Cl2NO4/c1-2-9-26-14-6-3-12(4-7-14)17(11-18(23)24)22-19(25)15-8-5-13(20)10-16(15)21/h3-8,10,17H,2,9,11H2,1H3,(H,22,25)(H,23,24) |
| InChIKey | OPCIPTMOZIXPGV-UHFFFAOYSA-N |
| Molecular Weight | 396.270 g/mol |
| SMILES | C=1(C(NC(CC(=O)O)C2=CC=C(C=C2)OCCC)=O)C(=CC(=CC1)Cl)Cl |