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1,1'-[BIPHENYL-3,3'-DIYLBIS-(METHYLENE)]-BIS-[[4-(1,1-DIHYDROXYETHYL)]-ACETYLPYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID 1hVX6v4HC5G
InChI InChI=1S/C28H30N2O4.2BrH/c1-27(31,32)25-9-13-29(14-10-25)19-21-5-3-7-23(17-21)24-8-4-6-22(18-24)20-30-15-11-26(12-16-30)28(2,33)34;;/h3-18,31-34H,19-20H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WDFDVWPUAWUNAA-UHFFFAOYSA-L
Mol Weight 618.366 g/mol
Molecular Formula C28H30Br2N2O4
Exact Mass 616.057233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95fxvZtKxzH
Name 1,1'-[BIPHENYL-3,3'-DIYLBIS-(METHYLENE)]-BIS-[[4-(1,1-DIHYDROXYETHYL)]-ACETYLPYRIDINIUM]-DIBROMIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30Br2N2O4
InChI InChI=1S/C28H30N2O4.2BrH/c1-27(31,32)25-9-13-29(14-10-25)19-21-5-3-7-23(17-21)24-8-4-6-22(18-24)20-30-15-11-26(12-16-30)28(2,33)34;;/h3-18,31-34H,19-20H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WDFDVWPUAWUNAA-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 618.365 g/mol
Solvent CD3OD
Source File Reference UWVN28452