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N,N'-Bis(1,3-diphenyltetrazolium-5-yl)biphenyl-3,3'-diamide
SpectraBase Compound ID BoVoil01KEI
InChI InChI=1S/C38H28N10/c1-5-19-33(20-6-1)45-37(41-47(43-45)35-23-9-3-10-24-35)39-31-17-13-15-29(27-31)30-16-14-18-32(28-30)40-38-42-48(36-25-11-4-12-26-36)44-46(38)34-21-7-2-8-22-34/h1-28H
InChIKey ZXQTXGUWLQNLKZ-UHFFFAOYSA-N
Mol Weight 624.7 g/mol
Molecular Formula C38H28N10
Exact Mass 624.249841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LQA4Rg5JnF
Name N,N'-Bis(1,3-diphenyltetrazolium-5-yl)biphenyl-3,3'-diamide
Alternate Name(s) 5-[(3-{3-[(2,4-diphenyl-4H-1,2,3,4-tetrazol-2-ylium-5-yl)azanidyl]phenyl}phenyl)azanidyl]-1,3-diphenyl-3H-1,2,3,4-tetrazol-1-ylium (1,3-diphenyl-5-tetrazol-1-iumyl)-[3-[3-[(1,3-diphenyl-5-tetrazol-1-iumyl)azanidyl]phenyl]phenyl]azanide (1,3-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)-[3-[3-[(1,3-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)azanidyl]phenyl]phenyl]azanide
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Formula C38H28N10
InChI InChI=1S/C38H28N10/c1-5-19-33(20-6-1)45-37(41-47(43-45)35-23-9-3-10-24-35)39-31-17-13-15-29(27-31)30-16-14-18-32(28-30)40-38-42-48(36-25-11-4-12-26-36)44-46(38)34-21-7-2-8-22-34/h1-28H
InChIKey ZXQTXGUWLQNLKZ-UHFFFAOYSA-N
Molecular Weight 624.712 g/mol
SMILES c1([n+](n[n](n1)-c1ccccc1)-c1ccccc1)[N-]c1cc(-c2cc([N-]c3n[n+](-c4ccccc4)n[n]3-c3ccccc3)ccc2)ccc1
SPLASH splash10-004i-9000300000-34eb351cfb97dd2cd78e
Source of Spectrum KC-0-994-8
Wiley ID 828308