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1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-N-METHYLANILINO)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID IuRpOajKiJD
InChI InChI=1S/C39H38N4.2BrH/c1-40(36-9-5-3-6-10-36)38-21-25-42(26-22-38)30-34-17-13-32(14-18-34)29-33-15-19-35(20-16-33)31-43-27-23-39(24-28-43)41(2)37-11-7-4-8-12-37;;/h3-28H,29-31H2,1-2H3;2*1H/q+2;;/p-2
InChIKey DMIMEJUXMXCWSI-UHFFFAOYSA-L
Mol Weight 722.569 g/mol
Molecular Formula C39H38Br2N4
Exact Mass 720.146323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID adRU8oQetg
Name 1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-N-METHYLANILINO)-PYRIDINIUM]-DIBROMIDE
Compound Number 5 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H38Br2N4
InChI InChI=1S/C39H38N4.2BrH/c1-40(36-9-5-3-6-10-36)38-21-25-42(26-22-38)30-34-17-13-32(14-18-34)29-33-15-19-35(20-16-33)31-43-27-23-39(24-28-43)41(2)37-11-7-4-8-12-37;;/h3-28H,29-31H2,1-2H3;2*1H/q+2;;/p-2
InChIKey DMIMEJUXMXCWSI-UHFFFAOYSA-L
Literature Reference Author J.M.CAMPOS,M.C.NUNEZ,R.M.SANCHEZ,J.A.GOMEZ-VIDAL,A.RODRIGUEZ -GONZALEZ,M.BANEZ,M.
Literature Reference Citation BIOORG.MED.CHEM.,10,2215(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00054-8
Molecular Weight 722.566 g/mol
Solvent CD3OD
Source File Reference UWVN28489