| SpectraBase Compound ID | 5F9DyK4WVSH |
|---|---|
| InChI | InChI=1S/C25H29N3O4/c1-32-20-11-5-8-18(16-20)17-26-23(29)21-12-6-14-27(21)25(31)22-13-7-15-28(22)24(30)19-9-3-2-4-10-19/h2-5,8-11,16,21-22H,6-7,12-15,17H2,1H3,(H,26,29)/t21-,22-/m0/s1 |
| InChIKey | PCYKKAGGBYZDEG-VXKWHMMOSA-N |
| Mol Weight | 435.52 g/mol |
| Molecular Formula | C25H29N3O4 |
| Exact Mass | 435.215806 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 40BI0QXUKom |
|---|---|
| Name | (S)-1-(Benzoyl-L-prolyl)-N-(3-methoxybenzyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.215806422 u |
| Formula | C25H29N3O4 |
| InChI | InChI=1S/C25H29N3O4/c1-32-20-11-5-8-18(16-20)17-26-23(29)21-12-6-14-27(21)25(31)22-13-7-15-28(22)24(30)19-9-3-2-4-10-19/h2-5,8-11,16,21-22H,6-7,12-15,17H2,1H3,(H,26,29)/t21-,22-/m0/s1 |
| InChIKey | PCYKKAGGBYZDEG-VXKWHMMOSA-N |
| Molecular Weight | 435.524 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC=CC=C1)=O)[H])=O)(C(=O)NCC1=CC(=CC=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886225 |