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3-[.alpha.-(Phenylhydrazino)benzyl]-2,5-diphenyl-4-(p-methoxyphenyl)-1,2,4-triazolium - p-TolyChloride4
SpectraBase Compound ID 3YMaryPVcbT
InChI InChI=1S/C34H27N5O.ClH/c1-40-31-24-22-29(23-25-31)38-33(27-16-8-3-9-17-27)37-39(30-20-12-5-13-21-30)34(38)32(26-14-6-2-7-15-26)36-35-28-18-10-4-11-19-28;/h2-25H,1H3;1H
InChIKey FRHXBNNIKMNHAF-UHFFFAOYSA-N
Mol Weight 558.1 g/mol
Molecular Formula C34H28ClN5O
Exact Mass 557.198238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5QCyiJXyU1
Name 3-[.alpha.-(Phenylhydrazino)benzyl]-2,5-diphenyl-4-(p-methoxyphenyl)-1,2,4-triazolium - p-TolyChloride4
Alternate Name(s) N-[(E)-[[4-(4-methoxyphenyl)-2,5-diphenyl-1,2,4-triazol-4-ium-3-yl]-phenylmethylidene]amino]aniline;chloride N-[(E)-[[4-(4-methoxyphenyl)-2,5-diphenyl-1,2,4-triazol-4-ium-3-yl]-phenyl-methylene]amino]aniline;chloride N-[(E)-[[4-(4-methoxyphenyl)-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 C34H28ClN5O
InChI InChI=1S/C34H27N5O.ClH/c1-40-31-24-22-29(23-25-31)38-33(27-16-8-3-9-17-27)37-39(30-20-12-5-13-21-30)34(38)32(26-14-6-2-7-15-26)36-35-28-18-10-4-11-19-28;/h2-25H,1H3;1H
InChIKey FRHXBNNIKMNHAF-UHFFFAOYSA-N
Molecular Weight 558.085 g/mol
SMILES [Cl-].N(\N=C\(c1[n+](c(n[n]1-c1ccccc1)-c1ccccc1)-c1ccc(OC)cc1)c1ccccc1)c1ccccc1
SPLASH splash10-00di-0000090000-f8e6e7a74edbe974709a
Source of Spectrum Y-40-635-11
Wiley ID 1528990