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N-{(E)-2-[3-methyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazol-4-yl]ethenyl}benzamide
SpectraBase Compound ID HEe788Hcuaw
InChI InChI=1S/C25H20N4O3/c1-18-23(16-17-26-25(30)20-10-6-3-7-11-20)24(19-8-4-2-5-9-19)28(27-18)21-12-14-22(15-13-21)29(31)32/h2-17H,1H3,(H,26,30)/b17-16+
InChIKey NWZVYMFRNPBUQM-WUKNDPDISA-N
Mol Weight 424.46 g/mol
Molecular Formula C25H20N4O3
Exact Mass 424.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ed7vIf9xnU7
Name N-{(E)-2-[3-methyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazol-4-yl]ethenyl}benzamide
Alternate Name(s) N-[(E)-2-[3-methyl-1-(4-nitrophenyl)-5-phenyl-4-pyrazolyl]ethenyl]benzamide N-[(E)-2-[3-methyl-1-(4-nitrophenyl)-5-phenylpyrazol-4-yl]ethenyl]benzamide N-[(E)-2-[3-methyl-1-(4-nitrophenyl)-5-phenyl-pyrazol-4-yl]ethenyl]benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C25H20N4O3
InChI InChI=1S/C25H20N4O3/c1-18-23(16-17-26-25(30)20-10-6-3-7-11-20)24(19-8-4-2-5-9-19)28(27-18)21-12-14-22(15-13-21)29(31)32/h2-17H,1H3,(H,26,30)/b17-16+
InChIKey NWZVYMFRNPBUQM-WUKNDPDISA-N
Molecular Weight 424.460 g/mol
SMILES N(C(c1ccccc1)=O)\C=C\c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)N(=O)=O)C
SPLASH splash10-0ab9-0900700000-e1995e59c53b7451a91c
Source of Spectrum K-2002-679-6
Wiley ID 1580946