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1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-(4-ACETYLPYRIDINIUM)-DIBROMIDE
SpectraBase Compound ID EM2UmMOQWUo
InChI InChI=1S/C29H28N2O2.2BrH/c1-22(32)28-11-15-30(16-12-28)20-26-7-3-24(4-8-26)19-25-5-9-27(10-6-25)21-31-17-13-29(14-18-31)23(2)33;;/h3-18H,19-21H2,1-2H3;2*1H/q+2;;/p-2
InChIKey MADZRTUIYIUBIY-UHFFFAOYSA-L
Mol Weight 596.363 g/mol
Molecular Formula C29H28Br2N2O2
Exact Mass 594.051754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7H7CxRCsjo
Name 1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-(4-ACETYLPYRIDINIUM)-DIBROMIDE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28Br2N2O2
InChI InChI=1S/C29H28N2O2.2BrH/c1-22(32)28-11-15-30(16-12-28)20-26-7-3-24(4-8-26)19-25-5-9-27(10-6-25)21-31-17-13-29(14-18-31)23(2)33;;/h3-18H,19-21H2,1-2H3;2*1H/q+2;;/p-2
InChIKey MADZRTUIYIUBIY-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 596.362 g/mol
Solvent CD3OD
Source File Reference UWVN28464