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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-PYRIDINIUM-DIBROMIDE
SpectraBase Compound ID KwJYY5bYepD
InChI InChI=1S/C27H28N2.2BrH/c1-3-18-28(19-4-1)22-26-14-10-24(11-15-26)8-7-9-25-12-16-27(17-13-25)23-29-20-5-2-6-21-29;;/h1-6,10-21H,7-9,22-23H2;2*1H/q+2;;/p-2
InChIKey JXFPYILDSNTKQL-UHFFFAOYSA-L
Mol Weight 540.343 g/mol
Molecular Formula C27H28Br2N2
Exact Mass 538.061925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClSR0MAGW5r
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-PYRIDINIUM-DIBROMIDE
Compound Number 45
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28Br2N2
InChI InChI=1S/C27H28N2.2BrH/c1-3-18-28(19-4-1)22-26-14-10-24(11-15-26)8-7-9-25-12-16-27(17-13-25)23-29-20-5-2-6-21-29;;/h1-6,10-21H,7-9,22-23H2;2*1H/q+2;;/p-2
InChIKey JXFPYILDSNTKQL-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 540.341 g/mol
Solvent CD3OD
Source File Reference UWVN28484