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1,5-Diphenyl-3-(4'-methylphenyl)-4-benzoylimino-1H-1,2,4-triazolium salt
SpectraBase Compound ID 2RNFokGg8Zs
InChI InChI=1S/C28H22N4O/c1-21-17-19-22(20-18-21)26-29-31(25-15-9-4-10-16-25)28(24-13-7-3-8-14-24)32(26)30-27(33)23-11-5-2-6-12-23/h2-20H,1H3
InChIKey RPJCHSGRNAZZOF-UHFFFAOYSA-N
Mol Weight 430.51 g/mol
Molecular Formula C28H22N4O
Exact Mass 430.179361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcQa6N8Q158
Name 1,5-Diphenyl-3-(4'-methylphenyl)-4-benzoylimino-1H-1,2,4-triazolium salt
Alternate Name(s) 4-(benzoylazanidyl)-3-(4-methylphenyl)-1,5-diphenyl-1H-1,2,4-triazol-4-ium (Z)-N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzenecarboximidate
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Formula C28H22N4O
InChI InChI=1S/C28H22N4O/c1-21-17-19-22(20-18-21)26-29-31(25-15-9-4-10-16-25)28(24-13-7-3-8-14-24)32(26)30-27(33)23-11-5-2-6-12-23/h2-20H,1H3
InChIKey RPJCHSGRNAZZOF-UHFFFAOYSA-N
Molecular Weight 430.511 g/mol
SMILES c1([n+](c(n[n]1-c1ccccc1)-c1ccc(cc1)C)[N-]C(=O)c1ccccc1)-c1ccccc1
SPLASH splash10-0fr6-6900000000-50cdd2dba7f6a81cfb3b
Source of Spectrum Y-33-594-11
Wiley ID 1381734