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3,3'-(2,2'-dimethoxy-p-biphenylene)bis[2,5-di(p-nitrophenyl)-2H-tetrazolium chloride]
SpectraBase Compound ID F3aLRbO6o4E
InChI InChI=1S/C40H28N12O10.2ClH/c1-61-37-23-27(7-21-35(37)47-43-39(25-3-9-31(10-4-25)49(53)54)41-45(47)29-13-17-33(18-14-29)51(57)58)28-8-22-36(38(24-28)62-2)48-44-40(26-5-11-32(12-6-26)50(55)56)42-46(48)30-15-19-34(20-16-30)52(59)60;;/h3-24H,1-2H3;2*1H/q+2;;/p-2
InChIKey VCESGVLABVSDRO-UHFFFAOYSA-L
Mol Weight 907.64 g/mol
Molecular Formula C40H28Cl2N12O10
Exact Mass 906.142841 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lUpn4QWPlg
Name 3,3'-(3,3'-DIMETHOXY-4,4'-BIPHENYLYLENE)BIS[2,5-BIS(p-NITROPHENYL)-2H-TETRAZOLIUM] DICHLORIDE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H28Cl2N12O10
InChI InChI=1S/C40H28N12O10.2ClH/c1-61-37-23-27(7-21-35(37)47-43-39(25-3-9-31(10-4-25)49(53)54)41-45(47)29-13-17-33(18-14-29)51(57)58)28-8-22-36(38(24-28)62-2)48-44-40(26-5-11-32(12-6-26)50(55)56)42-46(48)30-15-19-34(20-16-30)52(59)60;;/h3-24H,1-2H3;2*1H/q+2;;/p-2
InChIKey VCESGVLABVSDRO-UHFFFAOYSA-L
Melting Point 159C (dec.)
Molecular Weight 907.65
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2H-TETRAZOLIUM DICHLORIDE, 3,3'-/3,3'-DIMETHOXY-4,4'-BIPHENYLYLENE/BIS/2,5-BIS/P-NITROPHENYL/-,