| SpectraBase Spectrum ID |
9461UvywK39 |
| Name |
4-(4-Chloro-benzoyl)-5-(2,5-dimethoxy-phenyl)-3-hydroxy-1-pyridin-3-ylmethyl-1,5-dihydro-pyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.113899479 u |
| Formula |
C25H21ClN2O5 |
| InChI |
InChI=1S/C25H21ClN2O5/c1-32-18-9-10-20(33-2)19(12-18)22-21(23(29)16-5-7-17(26)8-6-16)24(30)25(31)28(22)14-15-4-3-11-27-13-15/h3-13,22,30H,14H2,1-2H3 |
| InChIKey |
BUTGSMZRKOHHAR-UHFFFAOYSA-N |
| Molecular Weight |
464.905 g/mol |
| SMILES |
C=1(C(N(CC=2C=NC=CC2)C(C1O)=O)C=1C(=CC=C(C1)OC)OC)C(C1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831204 |
