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p-Tolyl [1-phenyl-3-(p-tolyl)-1,2,4-triazol-5-yl]ketone - phenylhydrazone
SpectraBase Compound ID 89J0LFrsyW1
InChI InChI=1S/C29H25N5/c1-21-13-17-23(18-14-21)27(32-31-25-9-5-3-6-10-25)29-30-28(24-19-15-22(2)16-20-24)33-34(29)26-11-7-4-8-12-26/h3-20,31H,1-2H3/b32-27-
InChIKey KLLGTDPOBCTMFG-MXNGAVTRSA-N
Mol Weight 443.55 g/mol
Molecular Formula C29H25N5
Exact Mass 443.210996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGrr3JVeoN3
Name p-Tolyl [1-phenyl-3-(p-tolyl)-1,2,4-triazol-5-yl]ketone - phenylhydrazone
Comments Less than 3 mono-isotopic peaks
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Formula C29H25N5
InChI InChI=1S/C29H25N5/c1-21-13-17-23(18-14-21)27(32-31-25-9-5-3-6-10-25)29-30-28(24-19-15-22(2)16-20-24)33-34(29)26-11-7-4-8-12-26/h3-20,31H,1-2H3/b32-27-
InChIKey KLLGTDPOBCTMFG-MXNGAVTRSA-N
Molecular Weight 443.554 g/mol
SMILES N(\N=C/(c1nc(-c2ccc(cc2)C)n[n]1-c1ccccc1)c1ccc(cc1)C)c1ccccc1
SPLASH splash10-0006-0000900000-3a638da3f3d6a8da45b0
Source of Spectrum U-1996-779-8
Synonyms (Z)-(4-methylphenyl)[3-(4-methylphenyl)-1-phenyl-1H-1,2,4-triazol-5-yl]methanone phenylhydrazone
Wiley ID 768454