SpectraBase Spectrum ID |
D51KRYfRLeq |
Name |
Pent-2-ene-1,5-dione, 1-(4-chlorophenyl)-5-(4-methylphenyl)-3-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
374.107357550 u |
Formula |
C24H19ClO2 |
InChI |
InChI=1S/C24H19ClO2/c1-17-7-9-19(10-8-17)23(26)15-21(18-5-3-2-4-6-18)16-24(27)20-11-13-22(25)14-12-20/h2-14,16H,15H2,1H3/b21-16- |
InChIKey |
ZTVGTIRKAURHFY-PGMHBOJBSA-N |
Molecular Weight |
374.867 g/mol |
SMILES |
C(\C=C/(C1=CC=CC=C1)CC(C1=CC=C(C=C1)C)=O)(C1=CC=C(C=C1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847958 |