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Methyl 4-(4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)benzoate
SpectraBase Compound ID KIW9WpuwVMW
InChI InChI=1S/C33H24N4O3/c1-40-33(39)25-17-19-28(20-18-25)37-31(24-13-7-3-8-14-24)34-29(32(37)38)21-26-22-36(27-15-9-4-10-16-27)35-30(26)23-11-5-2-6-12-23/h2-22H,1H3
InChIKey AUNSZOUIWCDTHX-UHFFFAOYSA-N
Mol Weight 524.6 g/mol
Molecular Formula C33H24N4O3
Exact Mass 524.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLeaPozW4Qk
Name Methyl 4-(4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)benzoate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H24N4O3
InChI InChI=1S/C33H24N4O3/c1-40-33(39)25-17-19-28(20-18-25)37-31(24-13-7-3-8-14-24)34-29(32(37)38)21-26-22-36(27-15-9-4-10-16-27)35-30(26)23-11-5-2-6-12-23/h2-22H,1H3
InChIKey AUNSZOUIWCDTHX-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2411
Molecular Weight 524.580 g/mol
SMILES COC(c1ccc(cc1)N1C(=NC(C1=O)=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1)c1ccccc1)=O
SPLASH splash10-00dr-2190040000-49b9c18fb675f00d0cb3
Source of Spectrum Y-53-180-5b
Wiley ID 1877606