| SpectraBase Compound ID | 6jBvMQq2f1 |
|---|---|
| InChI | InChI=1S/C19H27N3O3/c1-25-15-7-4-6-14(12-15)13-21-18(23)17-9-5-11-22(17)19(24)16-8-2-3-10-20-16/h4,6-7,12,16-17,20H,2-3,5,8-11,13H2,1H3,(H,21,23)/t16-,17+/m1/s1 |
| InChIKey | NKYPNKZUQULWEC-SJORKVTESA-N |
| Mol Weight | 345.44 g/mol |
| Molecular Formula | C19H27N3O3 |
| Exact Mass | 345.205242 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8cqm9v2mNgC |
|---|---|
| Name | (S)-N-(3-Methoxybenzyl)-1-((R)-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 | 345.205241738 u |
| Formula | C19H27N3O3 |
| InChI | InChI=1S/C19H27N3O3/c1-25-15-7-4-6-14(12-15)13-21-18(23)17-9-5-11-22(17)19(24)16-8-2-3-10-20-16/h4,6-7,12,16-17,20H,2-3,5,8-11,13H2,1H3,(H,21,23)/t16-,17+/m1/s1 |
| InChIKey | NKYPNKZUQULWEC-SJORKVTESA-N |
| Molecular Weight | 345.443 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)[C@@]1(NCCCC1)[H])(C(=O)NCC1=CC(=CC=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912738 |