| SpectraBase Compound ID | IqIFXVuKXuU |
|---|---|
| InChI | InChI=1S/C26H31N3O3/c1-18-10-6-7-13-21(18)25(31)29-17-9-15-23(29)26(32)28-16-8-14-22(28)24(30)27-19(2)20-11-4-3-5-12-20/h3-7,10-13,19,22-23H,8-9,14-17H2,1-2H3,(H,27,30)/t19-,22-,23-/m0/s1 |
| InChIKey | WZAZVWKMEVOMSE-VJBMBRPKSA-N |
| Mol Weight | 433.55 g/mol |
| Molecular Formula | C26H31N3O3 |
| Exact Mass | 433.236542 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | rgQvP7ZYSM |
|---|---|
| Name | (S)-1-((2-Methylbenzoyl)-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 | 433.236541867 u |
| Formula | C26H31N3O3 |
| InChI | InChI=1S/C26H31N3O3/c1-18-10-6-7-13-21(18)25(31)29-17-9-15-23(29)26(32)28-16-8-14-22(28)24(30)27-19(2)20-11-4-3-5-12-20/h3-7,10-13,19,22-23H,8-9,14-17H2,1-2H3,(H,27,30)/t19-,22-,23-/m0/s1 |
| InChIKey | WZAZVWKMEVOMSE-VJBMBRPKSA-N |
| Molecular Weight | 433.552 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1)C)=O)[H])=O)(C(=O)N[C@@](C)(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963233 |