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3,3'-Dichlorbenzidine=>(2 mol)3-carbethoxy-1-phenyl-5-pyrazolon
SpectraBase Compound ID 3Cz2EXQqhCD
InChI InChI=1S/C36H28Cl2N8O6/c1-3-51-35(49)31-29(33(47)45(43-31)23-11-7-5-8-12-23)41-39-27-17-15-21(19-25(27)37)22-16-18-28(26(38)20-22)40-42-30-32(36(50)52-4-2)44-46(34(30)48)24-13-9-6-10-14-24/h5-20,47-48H,3-4H2,1-2H3/b41-39+,42-40?
InChIKey DJCNHBMPTPJIHB-UFAYILFRSA-N
Mol Weight 739.6 g/mol
Molecular Formula C36H28Cl2N8O6
Exact Mass 738.150886 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5sEjQwBJoxv
Name 3,3'-Dichlorbenzidine=>(2 mol)3-carbethoxy-1-phenyl-5-pyrazolon
CAS Registry Number 7538-57-0
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Formula C36H28Cl2N8O6
InChI InChI=1S/C36H28Cl2N8O6/c1-3-51-35(49)31-29(33(47)45(43-31)23-11-7-5-8-12-23)41-39-27-17-15-21(19-25(27)37)22-16-18-28(26(38)20-22)40-42-30-32(36(50)52-4-2)44-46(34(30)48)24-13-9-6-10-14-24/h5-20,47-48H,3-4H2,1-2H3/b41-39+,42-40?
InChIKey DJCNHBMPTPJIHB-UFAYILFRSA-N
Instrument Name Bruker IFS 85
Technique KBr-Pellet