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1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-DIMETHYLAMINO)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID 30VH76vHTf7
InChI InChI=1S/C29H34N4.2BrH/c1-30(2)28-13-17-32(18-14-28)22-26-9-5-24(6-10-26)21-25-7-11-27(12-8-25)23-33-19-15-29(16-20-33)31(3)4;;/h5-20H,21-23H2,1-4H3;2*1H/q+2;;/p-2
InChIKey HXRGGYUPPCITRK-UHFFFAOYSA-L
Mol Weight 598.427 g/mol
Molecular Formula C29H34Br2N4
Exact Mass 596.115023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Hf4zCb868
Name 1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-DIMETHYLAMINO)-PYRIDINIUM]-DIBROMIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H34Br2N4
InChI InChI=1S/C29H34N4.2BrH/c1-30(2)28-13-17-32(18-14-28)22-26-9-5-24(6-10-26)21-25-7-11-27(12-8-25)23-33-19-15-29(16-20-33)31(3)4;;/h5-20H,21-23H2,1-4H3;2*1H/q+2;;/p-2
InChIKey HXRGGYUPPCITRK-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 598.424 g/mol
Solvent CD3OD
Source File Reference UWVN28460