![3-[(3,5-Dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid](/api/spectrum/4GbuHc2EgVL/structure.png?h=300&w=458 "3-[(3,5-Dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid")
| SpectraBase Compound ID | DOmv6yvq1hd |
|---|---|
| InChI | InChI=1S/C21H25NO6/c1-4-9-28-16-7-5-14(6-8-16)19(13-20(23)24)22-21(25)15-10-17(26-2)12-18(11-15)27-3/h5-8,10-12,19H,4,9,13H2,1-3H3,(H,22,25)(H,23,24) |
| InChIKey | UWPYYFYCNNPJNK-UHFFFAOYSA-N |
| Mol Weight | 387.43 g/mol |
| Molecular Formula | C21H25NO6 |
| Exact Mass | 387.168188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GbuHc2EgVL |
|---|---|
| Name | 3-[(3,5-Dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.168187523 u |
| Formula | C21H25NO6 |
| InChI | InChI=1S/C21H25NO6/c1-4-9-28-16-7-5-14(6-8-16)19(13-20(23)24)22-21(25)15-10-17(26-2)12-18(11-15)27-3/h5-8,10-12,19H,4,9,13H2,1-3H3,(H,22,25)(H,23,24) |
| InChIKey | UWPYYFYCNNPJNK-UHFFFAOYSA-N |
| Molecular Weight | 387.432 g/mol |
| SMILES | C(NC(CC(=O)O)C1=CC=C(C=C1)OCCC)(C=1C=C(OC)C=C(C1)OC)=O |