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N-(1Z-3-(2-(4-chlorobenzylidene)hydrazinyl)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl) benzamide
SpectraBase Compound ID 9hXr3jcDGEE
InChI InChI=1S/C32H24ClN5O2/c33-27-18-16-23(17-19-27)21-34-36-32(40)29(35-31(39)25-12-6-2-7-13-25)20-26-22-38(28-14-8-3-9-15-28)37-30(26)24-10-4-1-5-11-24/h1-22H,(H,35,39)(H,36,40)
InChIKey IRZKMFDMNGGZEX-UHFFFAOYSA-N
Mol Weight 546.0 g/mol
Molecular Formula C32H24ClN5O2
Exact Mass 545.161853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0Ns7LpGW6s
Name N-(1Z-3-(2-(4-chlorobenzylidene)hydrazinyl)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl) benzamide
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H24ClN5O2
InChI InChI=1S/C32H24ClN5O2/c33-27-18-16-23(17-19-27)21-34-36-32(40)29(35-31(39)25-12-6-2-7-13-25)20-26-22-38(28-14-8-3-9-15-28)37-30(26)24-10-4-1-5-11-24/h1-22H,(H,35,39)(H,36,40)
InChIKey IRZKMFDMNGGZEX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2329
Molecular Weight 546.030 g/mol
SMILES N(C(C(=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1)NC(c1ccccc1)=O)=O)N=Cc1ccc(cc1)Cl
SPLASH splash10-0rkc-9765230000-a665f51a31fb84ef0175
Source of Spectrum Y-53-814-6b
Wiley ID 1876445