| SpectraBase Compound ID | 4KsjHnk3duN |
|---|---|
| InChI | InChI=1S/C25H28ClN3O4/c1-33-19-9-4-8-17(15-19)24(31)29-14-6-12-22(29)25(32)28-13-5-11-21(28)23(30)27-16-18-7-2-3-10-20(18)26/h2-4,7-10,15,21-22H,5-6,11-14,16H2,1H3,(H,27,30)/t21-,22-/m1/s1 |
| InChIKey | QAMGPIZWLIZQKC-FGZHOGPDSA-N |
| Mol Weight | 469.97 g/mol |
| Molecular Formula | C25H28ClN3O4 |
| Exact Mass | 469.176834 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FgVRxcNC25y |
|---|---|
| Name | (R)-N-(2-Chlorobenzyl)-1-((3-methoxybenzoyl)-D-prolyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 469.176834090 u |
| Formula | C25H28ClN3O4 |
| InChI | InChI=1S/C25H28ClN3O4/c1-33-19-9-4-8-17(15-19)24(31)29-14-6-12-22(29)25(32)28-13-5-11-21(28)23(30)27-16-18-7-2-3-10-20(18)26/h2-4,7-10,15,21-22H,5-6,11-14,16H2,1H3,(H,27,30)/t21-,22-/m1/s1 |
| InChIKey | QAMGPIZWLIZQKC-FGZHOGPDSA-N |
| Molecular Weight | 469.969 g/mol |
| SMILES | [C@@]1(N(CCC1)C([C@@]1(N(CCC1)C(C1=CC(=CC=C1)OC)=O)[H])=O)(C(=O)NCC1=C(C=CC=C1)Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889251 |