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2-[3-(4-Chlorophenyl)-1-phenyl-5-oxo-pyrazol-4-yl]-perimidine
SpectraBase Compound ID LUcVqSUS12U
InChI InChI=1S/C26H17ClN4O/c27-18-14-12-17(13-15-18)24-23(26(32)31(30-24)19-8-2-1-3-9-19)25-28-20-10-4-6-16-7-5-11-21(29-25)22(16)20/h1-15,28-29H
InChIKey NZDWFUKIJZIGLY-UHFFFAOYSA-N
Mol Weight 436.9 g/mol
Molecular Formula C26H17ClN4O
Exact Mass 436.109089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYOQENMLuF9
Name 2-[3-(4-Chlorophenyl)-1-phenyl-5-oxo-pyrazol-4-yl]-perimidine
Appearance Green solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17ClN4O
InChI InChI=1S/C26H17ClN4O/c27-18-14-12-17(13-15-18)24-23(26(32)31(30-24)19-8-2-1-3-9-19)25-28-20-10-4-6-16-7-5-11-21(29-25)22(16)20/h1-15,28-29H
InChIKey NZDWFUKIJZIGLY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX/GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2151
Molecular Weight 436.902 g/mol
SMILES N1c2cccc3cccc(NC1=C1C(=NN(C1=O)c1ccccc1)c1ccc(cc1)Cl)c23
SPLASH splash10-000i-2210900000-5c480238a36c4c9720cc
Source of Spectrum Y-53-912-5b
Wiley ID 1876407