| SpectraBase Compound ID | AD6bKsSkwjN |
|---|---|
| InChI | InChI=1S/C24H28N4O3/c1-17-8-2-3-10-19(17)23(30)28-15-7-12-21(28)24(31)27-14-6-11-20(27)22(29)26-16-18-9-4-5-13-25-18/h2-5,8-10,13,20-21H,6-7,11-12,14-16H2,1H3,(H,26,29)/t20-,21-/m0/s1 |
| InChIKey | WQZOZARZRKRIAJ-SFTDATJTSA-N |
| Mol Weight | 420.51 g/mol |
| Molecular Formula | C24H28N4O3 |
| Exact Mass | 420.216141 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | mGtBAjcPZm |
|---|---|
| Name | (S)-1-((2-Methylbenzoyl)-L-prolyl)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.216140775 u |
| Formula | C24H28N4O3 |
| InChI | InChI=1S/C24H28N4O3/c1-17-8-2-3-10-19(17)23(30)28-15-7-12-21(28)24(31)27-14-6-11-20(27)22(29)26-16-18-9-4-5-13-25-18/h2-5,8-10,13,20-21H,6-7,11-12,14-16H2,1H3,(H,26,29)/t20-,21-/m0/s1 |
| InChIKey | WQZOZARZRKRIAJ-SFTDATJTSA-N |
| Molecular Weight | 420.513 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1)C)=O)[H])=O)(C(=O)NCC1=CC=CC=N1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950786 |