| SpectraBase Spectrum ID |
B6pQK7SeBAq |
| Name |
1-Benzyl-5-(4-bromophenyl)-5-hydroxy-3-phenyl-1H-pyrrol-2(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.052091822 u |
| Formula |
C23H18BrNO2 |
| InChI |
InChI=1S/C23H18BrNO2/c24-20-13-11-19(12-14-20)23(27)15-21(18-9-5-2-6-10-18)22(26)25(23)16-17-7-3-1-4-8-17/h1-15,27H,16H2 |
| InChIKey |
WCLCXADFEIZVGX-UHFFFAOYSA-N |
| Molecular Weight |
420.306 g/mol |
| SMILES |
C1(C2=CC=C(C=C2)Br)(C=C(C(=O)N1CC1=CC=CC=C1)C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872357 |
