| SpectraBase Compound ID | 78NbN09sQEY |
|---|---|
| InChI | InChI=1S/C27H33N3O4/c1-19-9-3-4-12-22(19)26(32)30-15-6-5-13-24(30)27(33)29-16-8-14-23(29)25(31)28-18-20-10-7-11-21(17-20)34-2/h3-4,7,9-12,17,23-24H,5-6,8,13-16,18H2,1-2H3,(H,28,31)/t23-,24+/m0/s1 |
| InChIKey | ZVGVNFSFMYXMAG-BJKOFHAPSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C27H33N3O4 |
| Exact Mass | 463.247107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6PZYL8cTxyy |
|---|---|
| Name | (S)-N-(3-Methoxybenzyl)-1-((R)-1-(2-methylbenzoyl)piperidine-2-carbonyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 463.247106551 u |
| Formula | C27H33N3O4 |
| InChI | InChI=1S/C27H33N3O4/c1-19-9-3-4-12-22(19)26(32)30-15-6-5-13-24(30)27(33)29-16-8-14-23(29)25(31)28-18-20-10-7-11-21(17-20)34-2/h3-4,7,9-12,17,23-24H,5-6,8,13-16,18H2,1-2H3,(H,28,31)/t23-,24+/m0/s1 |
| InChIKey | ZVGVNFSFMYXMAG-BJKOFHAPSA-N |
| Molecular Weight | 463.578 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)[C@@]1(N(CCCC1)C(C1=C(C=CC=C1)C)=O)[H])(C(=O)NCC1=CC(=CC=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906464 |