| SpectraBase Compound ID | 8kinP8gBIno |
|---|---|
| InChI | InChI=1S/C24H24ClF2N3O3/c25-17-5-1-4-15(12-17)23(32)30-11-3-7-21(30)24(33)29-10-2-6-20(29)22(31)28-14-16-8-9-18(26)13-19(16)27/h1,4-5,8-9,12-13,20-21H,2-3,6-7,10-11,14H2,(H,28,31)/t20-,21-/m0/s1 |
| InChIKey | UHVKLFRELZNUKR-SFTDATJTSA-N |
| Mol Weight | 475.92 g/mol |
| Molecular Formula | C24H24ClF2N3O3 |
| Exact Mass | 475.147426 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IDhVB3CLvVH |
|---|---|
| Name | (S)-1-((3-Chlorobenzoyl)-L-prolyl)-N-(2,4-difluorobenzyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 475.147425668 u |
| Formula | C24H24ClF2N3O3 |
| InChI | InChI=1S/C24H24ClF2N3O3/c25-17-5-1-4-15(12-17)23(32)30-11-3-7-21(30)24(33)29-10-2-6-20(29)22(31)28-14-16-8-9-18(26)13-19(16)27/h1,4-5,8-9,12-13,20-21H,2-3,6-7,10-11,14H2,(H,28,31)/t20-,21-/m0/s1 |
| InChIKey | UHVKLFRELZNUKR-SFTDATJTSA-N |
| Molecular Weight | 475.924 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC(=CC=C1)Cl)=O)[H])=O)(C(=O)NCC1=C(C=C(C=C1)F)F)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912666 |