| SpectraBase Spectrum ID |
9rKoumEymBv |
| Name |
1-(3-Bromo-4-methyl-phenyl)-4-(4-chloro-benzoyl)-3-hydroxy-5-(3-methoxy-phenyl)-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 |
511.018598792 u |
| Formula |
C25H19BrClNO4 |
| InChI |
InChI=1S/C25H19BrClNO4/c1-14-6-11-18(13-20(14)26)28-22(16-4-3-5-19(12-16)32-2)21(24(30)25(28)31)23(29)15-7-9-17(27)10-8-15/h3-13,22,30H,1-2H3 |
| InChIKey |
ZIZNRDRXYNZBRS-UHFFFAOYSA-N |
| Molecular Weight |
512.787 g/mol |
| SMILES |
C1(=C(C(=O)N(C1C=1C=C(OC)C=CC1)C=1C=C(Br)C(=CC1)C)O)C(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856415 |
