| SpectraBase Compound ID | 839kB7BEfgi |
|---|---|
| InChI | InChI=1S/C21H22N2O5/c1-2-27-20(25)18(13-16-9-5-3-6-10-16)23-19(24)14-22-21(26)28-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3,(H,22,26)(H,23,24)/b18-13+ |
| InChIKey | NVHWAIPXBATLMY-QGOAFFKASA-N |
| Mol Weight | 382.42 g/mol |
| Molecular Formula | C21H22N2O5 |
| Exact Mass | 382.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IP4CVKlIRPC |
|---|---|
| Name | Z-gly-.Delta.phe-oet |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.152871811 u |
| Formula | C21H22N2O5 |
| InChI | InChI=1S/C21H22N2O5/c1-2-27-20(25)18(13-16-9-5-3-6-10-16)23-19(24)14-22-21(26)28-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3,(H,22,26)(H,23,24)/b18-13+ |
| InChIKey | NVHWAIPXBATLMY-QGOAFFKASA-N |
| Molecular Weight | 382.416 g/mol |
| SMILES | C(\C(NC(=O)CNC(=O)OCC1=CC=CC=C1)=C/C=1C=CC=CC1)(=O)OCC |