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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-HYDROXYMETHYL)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID IhwNv3ZJMIt
InChI InChI=1S/C29H32N2O2.2BrH/c32-22-28-12-16-30(17-13-28)20-26-8-4-24(5-9-26)2-1-3-25-6-10-27(11-7-25)21-31-18-14-29(23-33)15-19-31;;/h4-19,32-33H,1-3,20-23H2;2*1H/q+2;;/p-2
InChIKey NAQPULPIRDRGFV-UHFFFAOYSA-L
Mol Weight 600.395 g/mol
Molecular Formula C29H32Br2N2O2
Exact Mass 598.083054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cWKE9hiOHa
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-HYDROXYMETHYL)-PYRIDINIUM]-DIBROMIDE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32Br2N2O2
InChI InChI=1S/C29H32N2O2.2BrH/c32-22-28-12-16-30(17-13-28)20-26-8-4-24(5-9-26)2-1-3-25-6-10-27(11-7-25)21-31-18-14-29(23-33)15-19-31;;/h4-19,32-33H,1-3,20-23H2;2*1H/q+2;;/p-2
InChIKey NAQPULPIRDRGFV-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 600.393 g/mol
Solvent CD3OD
Source File Reference UWVN28472