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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-[BIS-[4-(1,1-DIHYDROXYETHYL)]-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID 80mIK9CldGu
InChI InChI=1S/C31H36N2O4.2BrH/c1-30(34,35)28-14-18-32(19-15-28)22-26-10-6-24(7-11-26)4-3-5-25-8-12-27(13-9-25)23-33-20-16-29(17-21-33)31(2,36)37;;/h6-21,34-37H,3-5,22-23H2,1-2H3;2*1H/q+2;;/p-2
InChIKey MUALUNKYUFJBDR-UHFFFAOYSA-L
Mol Weight 660.447 g/mol
Molecular Formula C31H36Br2N2O4
Exact Mass 658.104184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGIE8jhDiQG
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-[BIS-[4-(1,1-DIHYDROXYETHYL)]-PYRIDINIUM]-DIBROMIDE
Compound Number 30B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36Br2N2O4
InChI InChI=1S/C31H36N2O4.2BrH/c1-30(34,35)28-14-18-32(19-15-28)22-26-10-6-24(7-11-26)4-3-5-25-8-12-27(13-9-25)23-33-20-16-29(17-21-33)31(2,36)37;;/h6-21,34-37H,3-5,22-23H2,1-2H3;2*1H/q+2;;/p-2
InChIKey MUALUNKYUFJBDR-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 660.446 g/mol
Solvent CD3OD
Source File Reference UWVN28475