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1,1'-[ETHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[[4-(1,1-DIHYDROXYETHYL)]-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID CZ8AnH3DtGT
InChI InChI=1S/C30H34N2O4.2BrH/c1-29(33,34)27-13-17-31(18-14-27)21-25-9-5-23(6-10-25)3-4-24-7-11-26(12-8-24)22-32-19-15-28(16-20-32)30(2,35)36;;/h5-20,33-36H,3-4,21-22H2,1-2H3;2*1H/q+2;;/p-2
InChIKey GHSBOWQEUFMGKT-UHFFFAOYSA-L
Mol Weight 646.42 g/mol
Molecular Formula C30H34Br2N2O4
Exact Mass 644.088534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5E7YGlSeUeI
Name 1,1'-[ETHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[[4-(1,1-DIHYDROXYETHYL)]-PYRIDINIUM]-DIBROMIDE
Compound Number 23B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34Br2N2O4
InChI InChI=1S/C30H34N2O4.2BrH/c1-29(33,34)27-13-17-31(18-14-27)21-25-9-5-23(6-10-25)3-4-24-7-11-26(12-8-24)22-32-19-15-28(16-20-32)30(2,35)36;;/h5-20,33-36H,3-4,21-22H2,1-2H3;2*1H/q+2;;/p-2
InChIKey GHSBOWQEUFMGKT-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 646.419 g/mol
Solvent CD3OD
Source File Reference UWVN28469