| SpectraBase Compound ID | 2VO0CLgUTgP |
|---|---|
| InChI | InChI=1S/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23) |
| InChIKey | OEIUAJRTESSOCC-UHFFFAOYSA-N |
| Mol Weight | 356.38 g/mol |
| Molecular Formula | C19H20N2O5 |
| Exact Mass | 356.137222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14jsIyAxD4a |
|---|---|
| Name | N-(N-Carboxy-3-phenyl-dl-alanyl)glycine, N-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.137221747 u |
| Formula | C19H20N2O5 |
| InChI | InChI=1S/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23) |
| InChIKey | OEIUAJRTESSOCC-UHFFFAOYSA-N |
| SMILES | OC(CNC(C(CC=1C=CC=CC1)NC(OCC=1C=CC=CC1)=O)=O)=O |