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3-Cyano-6-[4-ethoxycarbonyl-1-(4-chlolorophenyl)-5-phenyl-1H-pyrazol-3-yl)]-pyridin-2(1H)-one
SpectraBase Compound ID 3ovrWcVmT71
InChI InChI=1S/C24H17ClN4O3/c1-2-32-24(31)20-21(19-13-8-16(14-26)23(30)27-19)28-29(18-11-9-17(25)10-12-18)22(20)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,27,30)
InChIKey IZMGBDWWOJGJBT-UHFFFAOYSA-N
Mol Weight 444.88 g/mol
Molecular Formula C24H17ClN4O3
Exact Mass 444.098918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQVh4jdkp4q
Name 3-Cyano-6-[4-ethoxycarbonyl-1-(4-chlolorophenyl)-5-phenyl-1H-pyrazol-3-yl)]-pyridin-2(1H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H17ClN4O3
InChI InChI=1S/C24H17ClN4O3/c1-2-32-24(31)20-21(19-13-8-16(14-26)23(30)27-19)28-29(18-11-9-17(25)10-12-18)22(20)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,27,30)
InChIKey IZMGBDWWOJGJBT-UHFFFAOYSA-N
Instrument Name GCMS-Q1000-EX Shimadzu or GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.903
Molecular Weight 444.878 g/mol
SMILES N1C(C(=CC=C1c1n[n](-c2ccc(Cl)cc2)c(c1C(=O)OCC)-c1ccccc1)C#N)=O
SPLASH splash10-0a4i-4009100000-a34116feacd533ffe4dd
Source of Spectrum ARK-2010-28-16a
Wiley ID 1870001