| SpectraBase Compound ID | GaTbtLyD6lg |
|---|---|
| InChI | InChI=1S/C26H31N3O4/c1-18(19-9-4-3-5-10-19)27-24(30)22-13-7-15-28(22)26(32)23-14-8-16-29(23)25(31)20-11-6-12-21(17-20)33-2/h3-6,9-12,17-18,22-23H,7-8,13-16H2,1-2H3,(H,27,30)/t18-,22-,23-/m0/s1 |
| InChIKey | DWEQWSPWHBLGLF-TZYHBYERSA-N |
| Mol Weight | 449.55 g/mol |
| Molecular Formula | C26H31N3O4 |
| Exact Mass | 449.231456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhYLKBzcYLa |
|---|---|
| Name | (S)-1-((3-Methoxybenzoyl)-L-prolyl)-N-((S)-1-phenylethyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.231456486 u |
| Formula | C26H31N3O4 |
| InChI | InChI=1S/C26H31N3O4/c1-18(19-9-4-3-5-10-19)27-24(30)22-13-7-15-28(22)26(32)23-14-8-16-29(23)25(31)20-11-6-12-21(17-20)33-2/h3-6,9-12,17-18,22-23H,7-8,13-16H2,1-2H3,(H,27,30)/t18-,22-,23-/m0/s1 |
| InChIKey | DWEQWSPWHBLGLF-TZYHBYERSA-N |
| Molecular Weight | 449.551 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC(=CC=C1)OC)=O)[H])=O)(C(=O)N[C@@](C)(C1=CC=CC=C1)[H])[H] |