| SpectraBase Compound ID | 8Wz3blStZk4 |
|---|---|
| InChI | InChI=1S/C26H31N3O4/c1-33-21-12-7-9-19(17-21)18-27-24(30)22-14-8-16-28(22)26(32)23-13-5-6-15-29(23)25(31)20-10-3-2-4-11-20/h2-4,7,9-12,17,22-23H,5-6,8,13-16,18H2,1H3,(H,27,30)/t22-,23+/m0/s1 |
| InChIKey | XDSIIOKKJDRVNB-XZOQPEGZSA-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 | Jp0uVpqKnHA |
|---|---|
| Name | (S)-1-((R)-1-Benzoylpiperidine-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 | 449.231456486 u |
| Formula | C26H31N3O4 |
| InChI | InChI=1S/C26H31N3O4/c1-33-21-12-7-9-19(17-21)18-27-24(30)22-14-8-16-28(22)26(32)23-13-5-6-15-29(23)25(31)20-10-3-2-4-11-20/h2-4,7,9-12,17,22-23H,5-6,8,13-16,18H2,1H3,(H,27,30)/t22-,23+/m0/s1 |
| InChIKey | XDSIIOKKJDRVNB-XZOQPEGZSA-N |
| Molecular Weight | 449.551 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)[C@@]1(N(CCCC1)C(C1=CC=CC=C1)=O)[H])(C(=O)NCC1=CC(=CC=C1)OC)[H] |