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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-N-METHYLANILINO)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID BFRcjlIVu0s
InChI InChI=1S/C41H42N4.2BrH/c1-42(38-12-5-3-6-13-38)40-24-28-44(29-25-40)32-36-20-16-34(17-21-36)10-9-11-35-18-22-37(23-19-35)33-45-30-26-41(27-31-45)43(2)39-14-7-4-8-15-39;;/h3-8,12-31H,9-11,32-33H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XFVQFMSUZGITCV-UHFFFAOYSA-L
Mol Weight 750.623 g/mol
Molecular Formula C41H42Br2N4
Exact Mass 748.177623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rqC9sOgtHT
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-N-METHYLANILINO)-PYRIDINIUM]-DIBROMIDE
Compound Number 59
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H42Br2N4
InChI InChI=1S/C41H42N4.2BrH/c1-42(38-12-5-3-6-13-38)40-24-28-44(29-25-40)32-36-20-16-34(17-21-36)10-9-11-35-18-22-37(23-19-35)33-45-30-26-41(27-31-45)43(2)39-14-7-4-8-15-39;;/h3-8,12-31H,9-11,32-33H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XFVQFMSUZGITCV-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 750.619 g/mol
Solvent CD3OD
Source File Reference UWVN28492