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1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[[4-(1,1-DIHYDROXYETHYL)]-ACETYLPYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID 8MaH1WKYYEh
InChI InChI=1S/C29H32N2O4.2BrH/c1-28(32,33)26-11-15-30(16-12-26)20-24-7-3-22(4-8-24)19-23-5-9-25(10-6-23)21-31-17-13-27(14-18-31)29(2,34)35;;/h3-18,32-35H,19-21H2,1-2H3;2*1H/q+2;;/p-2
InChIKey DNBZKKDNULQIOC-UHFFFAOYSA-L
Mol Weight 632.393 g/mol
Molecular Formula C29H32Br2N2O4
Exact Mass 630.072884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 522YCqsXw9i
Name 1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[[4-(1,1-DIHYDROXYETHYL)]-ACETYLPYRIDINIUM]-DIBROMIDE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32Br2N2O4
InChI InChI=1S/C29H32N2O4.2BrH/c1-28(32,33)26-11-15-30(16-12-26)20-24-7-3-22(4-8-24)19-23-5-9-25(10-6-23)21-31-17-13-27(14-18-31)29(2,34)35;;/h3-18,32-35H,19-21H2,1-2H3;2*1H/q+2;;/p-2
InChIKey DNBZKKDNULQIOC-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 632.392 g/mol
Solvent CD3OD
Source File Reference UWVN28465