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3-(4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-4-hydroxy-1-phenyl-quinolin-2(1H)-one
SpectraBase Compound ID JQ5GXqhENZk
InChI InChI=1S/C25H16ClN3O3/c26-16-12-10-15(11-13-16)14-19-22(27-28-24(19)31)21-23(30)18-8-4-5-9-20(18)29(25(21)32)17-6-2-1-3-7-17/h1-14,30H,(H,28,31)
InChIKey VDJWQYHYOKXKII-UHFFFAOYSA-N
Mol Weight 441.87 g/mol
Molecular Formula C25H16ClN3O3
Exact Mass 441.088019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9e2SJhNXw6
Name 3-(4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-4-hydroxy-1-phenyl-quinolin-2(1H)-one
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.088019084 u
Formula C25H16ClN3O3
InChI InChI=1S/C25H16ClN3O3/c26-16-12-10-15(11-13-16)14-19-22(27-28-24(19)31)21-23(30)18-8-4-5-9-20(18)29(25(21)32)17-6-2-1-3-7-17/h1-14,30H,(H,28,31)
InChIKey VDJWQYHYOKXKII-UHFFFAOYSA-N
Instrument Name Thermo scientific GCMS ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4424
Molecular Weight 441.874 g/mol
Quality 110
SMILES N1C(C(C(C2=C(C3=C(N(C2=O)C2=CC=CC=C2)C=CC=C3)O)=N1)=CC1=CC=C(Cl)C=C1)=O
SPLASH splash10-014i-0019400000-8e92233a6fac60a8bc76
Source of Spectrum Y-59-SM14-3 (DOI: 10.1002/jhet.4424)
Wiley ID 1892468