![2-[2-(4-Ethylphenoxy)acetylamino]-3-(1H-indol- 3-yl)propionic acid](/api/spectrum/XbEqQgPQTE/structure.png?h=300&w=458 "2-[2-(4-Ethylphenoxy)acetylamino]-3-(1H-indol- 3-yl)propionic acid")
| SpectraBase Compound ID | 2CyumT26xOV |
|---|---|
| InChI | InChI=1S/C21H22N2O4/c1-2-14-7-9-16(10-8-14)27-13-20(24)23-19(21(25)26)11-15-12-22-18-6-4-3-5-17(15)18/h3-10,12,19,22H,2,11,13H2,1H3,(H,23,24)(H,25,26) |
| InChIKey | JVNJFKIJZXDEBC-UHFFFAOYSA-N |
| Mol Weight | 366.42 g/mol |
| Molecular Formula | C21H22N2O4 |
| Exact Mass | 366.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XbEqQgPQTE |
|---|---|
| Name | 2-[2-(4-Ethylphenoxy)acetylamino]-3-(1H-indol- 3-yl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.157957192 u |
| Formula | C21H22N2O4 |
| InChI | InChI=1S/C21H22N2O4/c1-2-14-7-9-16(10-8-14)27-13-20(24)23-19(21(25)26)11-15-12-22-18-6-4-3-5-17(15)18/h3-10,12,19,22H,2,11,13H2,1H3,(H,23,24)(H,25,26) |
| InChIKey | JVNJFKIJZXDEBC-UHFFFAOYSA-N |
| Molecular Weight | 366.417 g/mol |
| SMILES | C=12C(CC(NC(COC3=CC=C(C=C3)CC)=O)C(O)=O)=CNC1C=CC=C2 |