| SpectraBase Compound ID | A4MNYBaUtsk |
|---|---|
| InChI | InChI=1S/C26H30ClN3O4/c1-34-21-10-4-7-18(15-21)17-28-24(31)22-12-6-14-29(22)26(33)23-11-2-3-13-30(23)25(32)19-8-5-9-20(27)16-19/h4-5,7-10,15-16,22-23H,2-3,6,11-14,17H2,1H3,(H,28,31)/t22-,23+/m0/s1 |
| InChIKey | LKAJOJUVKFXTAC-XZOQPEGZSA-N |
| Mol Weight | 484.0 g/mol |
| Molecular Formula | C26H30ClN3O4 |
| Exact Mass | 483.192484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBkiLKsiFmQ |
|---|---|
| Name | (S)-1-((R)-1-(3-Chlorobenzoyl)piperidine-2-carbonyl)-N-(3-methoxybenzyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 483.192484154 u |
| Formula | C26H30ClN3O4 |
| InChI | InChI=1S/C26H30ClN3O4/c1-34-21-10-4-7-18(15-21)17-28-24(31)22-12-6-14-29(22)26(33)23-11-2-3-13-30(23)25(32)19-8-5-9-20(27)16-19/h4-5,7-10,15-16,22-23H,2-3,6,11-14,17H2,1H3,(H,28,31)/t22-,23+/m0/s1 |
| InChIKey | LKAJOJUVKFXTAC-XZOQPEGZSA-N |
| Molecular Weight | 483.996 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)[C@@]1(N(CCCC1)C(C1=CC(=CC=C1)Cl)=O)[H])(C(=O)NCC1=CC(=CC=C1)OC)[H] |