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3-[.alpha.-(Phenylhydrazino)benzyl]-2,5-diphenyl-4-(p-tolyl)-1,2,4-triazolium - p-TolyChloride4
SpectraBase Compound ID 4EFFohfs4sp
InChI InChI=1S/C34H27N5.ClH/c1-26-22-24-30(25-23-26)38-33(28-16-8-3-9-17-28)37-39(31-20-12-5-13-21-31)34(38)32(27-14-6-2-7-15-27)36-35-29-18-10-4-11-19-29;/h2-25H,1H3;1H
InChIKey LFGSJHVTSZISNO-UHFFFAOYSA-N
Mol Weight 542.1 g/mol
Molecular Formula C34H28ClN5
Exact Mass 541.203324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4AEbnmYN9H
Name 3-[.alpha.-(Phenylhydrazino)benzyl]-2,5-diphenyl-4-(p-tolyl)-1,2,4-triazolium - p-TolyChloride4
Alternate Name(s) N-[(E)-[[4-(4-methylphenyl)-2,5-diphenyl-1,2,4-triazol-4-ium-3-yl]-phenylmethylidene]amino]aniline;chloride N-[(E)-[[2,5-diphenyl-4-(p-tolyl)-1,2,4-triazol-4-ium-3-yl]-phenyl-methylene]amino]aniline;chloride N-[(E)-[[4-(4-methylphenyl)-2,5-diphenyl-1,2,4-triazol-4-ium-3-yl]-phenyl-methylidene]amino]aniline;chloride
Comments Less than 3 mono-isotopic peaks
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Formula C34H28ClN5
InChI InChI=1S/C34H27N5.ClH/c1-26-22-24-30(25-23-26)38-33(28-16-8-3-9-17-28)37-39(31-20-12-5-13-21-31)34(38)32(27-14-6-2-7-15-27)36-35-29-18-10-4-11-19-29;/h2-25H,1H3;1H
InChIKey LFGSJHVTSZISNO-UHFFFAOYSA-N
Molecular Weight 542.086 g/mol
SMILES [Cl-].N(\N=C\(c1[n+](c(n[n]1-c1ccccc1)-c1ccccc1)-c1ccc(C)cc1)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-0000090000-92924820f5613131d7c2
Source of Spectrum Y-40-635-11
Wiley ID 1528991