| SpectraBase Compound ID | JF6RqyHTXay |
|---|---|
| InChI | InChI=1S/C24H25Cl2N3O3/c25-17-10-11-18(19(26)14-17)23(31)29-13-5-9-21(29)24(32)28-12-4-8-20(28)22(30)27-15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,20-21H,4-5,8-9,12-13,15H2,(H,27,30)/t20-,21-/m0/s1 |
| InChIKey | GFALMVZBKXQPNJ-SFTDATJTSA-N |
| Mol Weight | 474.39 g/mol |
| Molecular Formula | C24H25Cl2N3O3 |
| Exact Mass | 473.127297 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1NYx6yoJVEz |
|---|---|
| Name | (S)-N-Benzyl-1-((2,4-dichlorobenzoyl)-L-prolyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 473.127297074 u |
| Formula | C24H25Cl2N3O3 |
| InChI | InChI=1S/C24H25Cl2N3O3/c25-17-10-11-18(19(26)14-17)23(31)29-13-5-9-21(29)24(32)28-12-4-8-20(28)22(30)27-15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,20-21H,4-5,8-9,12-13,15H2,(H,27,30)/t20-,21-/m0/s1 |
| InChIKey | GFALMVZBKXQPNJ-SFTDATJTSA-N |
| Molecular Weight | 474.388 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=C(C=C1)Cl)Cl)=O)[H])=O)(C(=O)NCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950087 |