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4-{[2-(4-cyanobenzoyl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 38H6tGcw6NI
InChI InChI=1S/C22H17N3O4S/c1-16-2-12-21(13-3-16)30(27,28)29-20-10-6-18(7-11-20)15-24-25-22(26)19-8-4-17(14-23)5-9-19/h2-13,15H,1H3,(H,25,26)/b24-15+
InChIKey YHVMWUFTQHNSAO-BUVRLJJBSA-N
Mol Weight 419.46 g/mol
Molecular Formula C22H17N3O4S
Exact Mass 419.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFb57rFS3P6
Name 4-{[2-(4-cyanobenzoyl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid[4-[(E)-[(4-cyanobenzoyl)hydrazono]methyl]phenyl]ester 4-Methylbenzenesulfonic acid[4-[(E)-[[(4-cyanophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl]ester 4-{(E)-[2-(4-cyanobenzoyl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate Toluene-4-sulfonic acid 4-[(4-cyano-benzoyl)-hydrazonomethyl]-phenyl ester [4-[(E)-[(4-cyanobenzoyl)hydrazinylidene]methyl]phenyl]4-methylbenzenesulfonate [4-[(E)-[(4-cyanobenzoyl)hydrazono]methyl]phenyl]4-methylbenzenesulfonate [4-[(E)-[(4-cyanophenyl)carbonylhydrazinylidene]methyl]phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4-[(E)-[[(4-cyanophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester [4-[(E)-[(4-cyanobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate [4-[(E)-[(4-cyanobenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate [4-[(E)-[(4-cyanophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
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Formula C22H17N3O4S
InChI InChI=1S/C22H17N3O4S/c1-16-2-12-21(13-3-16)30(27,28)29-20-10-6-18(7-11-20)15-24-25-22(26)19-8-4-17(14-23)5-9-19/h2-13,15H,1H3,(H,25,26)/b24-15+
InChIKey YHVMWUFTQHNSAO-BUVRLJJBSA-N
Molecular Weight 419.455 g/mol
SMILES N(C(c1ccc(C#N)cc1)=O)\N=C\c1ccc(OS(c2ccc(cc2)C)(=O)=O)cc1
SPLASH splash10-0a5c-4900000000-166e5f94738309dd577f
Wiley ID 1459766