| SpectraBase Compound ID | JP8AiQfF1RN |
|---|---|
| InChI | InChI=1S/C25H29N3O3/c1-18(19-10-4-2-5-11-19)26-23(29)21-14-8-16-27(21)25(31)22-15-9-17-28(22)24(30)20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-17H2,1H3,(H,26,29)/t18-,21-,22-/m0/s1 |
| InChIKey | JQHHBCUSLFBYQQ-NYVOZVTQSA-N |
| Mol Weight | 419.53 g/mol |
| Molecular Formula | C25H29N3O3 |
| Exact Mass | 419.220892 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1ewfPKounCV |
|---|---|
| Name | (S)-1-(Benzoyl-L-prolyl)-N-((S)-1-phenylethyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.220891803 u |
| Formula | C25H29N3O3 |
| InChI | InChI=1S/C25H29N3O3/c1-18(19-10-4-2-5-11-19)26-23(29)21-14-8-16-27(21)25(31)22-15-9-17-28(22)24(30)20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-17H2,1H3,(H,26,29)/t18-,21-,22-/m0/s1 |
| InChIKey | JQHHBCUSLFBYQQ-NYVOZVTQSA-N |
| Molecular Weight | 419.525 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC=CC=C1)=O)[H])=O)(C(=O)N[C@@](C)(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822067 |