(4S)-4-[[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-phenyl-methyl]-5-methyl-2-phenyl-2-pyrazolin-3-one

SpectraBase Compound ID	DNeAtBNnksa
InChI	InChI=1S/C27H24N4O2/c1-18-23(26(32)30(28-18)21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24-19(2)29-31(27(24)33)22-16-10-5-11-17-22/h3-17,23-25H,1-2H3/t23-,24-/m1/s1
InChIKey	LAOAJQDORKNALF-DNQXCXABSA-N Google Search
Mol Weight	436.52 g/mol
Molecular Formula	C27H24N4O2
Exact Mass	436.189926 g/mol

Subscribe to view the full spectrum.

SpectraBase Spectrum ID	6liSCvkz23f
Name	(4S)-4-[[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-phenyl-methyl]-5-methyl-2-phenyl-2-pyrazolin-3-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	436.189926027 u
Formula	C27H24N4O2
InChI	InChI=1S/C27H24N4O2/c1-18-23(26(32)30(28-18)21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24-19(2)29-31(27(24)33)22-16-10-5-11-17-22/h3-17,23-25H,1-2H3/t23-,24-/m1/s1
InChIKey	LAOAJQDORKNALF-DNQXCXABSA-N
Molecular Weight	436.515 g/mol
SMILES	[C@@]1(C(N(C2=CC=CC=C2)N=C1C)=O)(C([C@@]1(C(N(C=2C=CC=CC2)N=C1C)=O)[H])C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.916766