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(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
Mol Weight 436.52 g/mol
Molecular Formula C27H24N4O2
Exact Mass 436.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cs6c3slCl5W
Name (4S)-4-[[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-phenyl-methyl]-5-methyl-2-phenyl-2-pyrazolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c2ccccc2)N=C1C)=O)(C([C@@]1(C(N(c2ccccc2)N=C1C)=O)[H])c1ccccc1)[H]
SPLASH splash10-000i-0900000000-7c50f99c10c922781255
Source of Spectrum SK-31-1341-2
Synonyms (4S)-5-methyl-4-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-2-phenyl-4H-pyrazol-3-one (4S)-5-methyl-4-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-2-phenyl-4H-pyrazol-3-one
Wiley ID 882035