| SpectraBase Compound ID | H5dBovc5HqD |
|---|---|
| InChI | InChI=1S/C24H28N4O4/c1-32-19-9-4-7-17(15-19)23(30)28-14-6-11-21(28)24(31)27-13-5-10-20(27)22(29)26-16-18-8-2-3-12-25-18/h2-4,7-9,12,15,20-21H,5-6,10-11,13-14,16H2,1H3,(H,26,29)/t20-,21-/m0/s1 |
| InChIKey | WXBMDAHIMARINU-SFTDATJTSA-N |
| Mol Weight | 436.51 g/mol |
| Molecular Formula | C24H28N4O4 |
| Exact Mass | 436.211055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rPhc9mLToP |
|---|---|
| Name | (S)-1-((3-Methoxybenzoyl)-L-prolyl)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.211055394 u |
| Formula | C24H28N4O4 |
| InChI | InChI=1S/C24H28N4O4/c1-32-19-9-4-7-17(15-19)23(30)28-14-6-11-21(28)24(31)27-13-5-10-20(27)22(29)26-16-18-8-2-3-12-25-18/h2-4,7-9,12,15,20-21H,5-6,10-11,13-14,16H2,1H3,(H,26,29)/t20-,21-/m0/s1 |
| InChIKey | WXBMDAHIMARINU-SFTDATJTSA-N |
| Molecular Weight | 436.512 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC(=CC=C1)OC)=O)[H])=O)(C(=O)NCC1=CC=CC=N1)[H] |