| SpectraBase Compound ID | 5UlYUQOacU8 |
|---|---|
| InChI | InChI=1S/C21H25NO4/c1-3-26-18-11-9-17(10-12-18)19(14-21(24)25)22-20(23)13-15(2)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,23)(H,24,25) |
| InChIKey | KLTPKDWETZFLCT-UHFFFAOYSA-N |
| Mol Weight | 355.43 g/mol |
| Molecular Formula | C21H25NO4 |
| Exact Mass | 355.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hud4JcdNWw |
|---|---|
| Name | 3-(3-Phenylbutanoylamino)-3-p-phenetyl-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.178358285 u |
| Formula | C21H25NO4 |
| InChI | InChI=1S/C21H25NO4/c1-3-26-18-11-9-17(10-12-18)19(14-21(24)25)22-20(23)13-15(2)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,23)(H,24,25) |
| InChIKey | KLTPKDWETZFLCT-UHFFFAOYSA-N |
| Molecular Weight | 355.434 g/mol |
| SMILES | C=1C=C(C=CC1C(CC(O)=O)NC(=O)CC(C1=CC=CC=C1)C)OCC |