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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-PIPERIDINO)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID Gcffarpod3q
InChI InChI=1S/C37H46N4.2BrH/c1-3-22-40(23-4-1)36-18-26-38(27-19-36)30-34-14-10-32(11-15-34)8-7-9-33-12-16-35(17-13-33)31-39-28-20-37(21-29-39)41-24-5-2-6-25-41;;/h10-21,26-29H,1-9,22-25,30-31H2;2*1H/q+2;;/p-2
InChIKey KDWYYZWMDLUFFY-UHFFFAOYSA-L
Mol Weight 706.611 g/mol
Molecular Formula C37H46Br2N4
Exact Mass 704.208923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgZ7xasgDUy
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-PIPERIDINO)-PYRIDINIUM]-DIBROMIDE
Compound Number 63
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46Br2N4
InChI InChI=1S/C37H46N4.2BrH/c1-3-22-40(23-4-1)36-18-26-38(27-19-36)30-34-14-10-32(11-15-34)8-7-9-33-12-16-35(17-13-33)31-39-28-20-37(21-29-39)41-24-5-2-6-25-41;;/h10-21,26-29H,1-9,22-25,30-31H2;2*1H/q+2;;/p-2
InChIKey KDWYYZWMDLUFFY-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 706.607 g/mol
Solvent CD3OD
Source File Reference UWVN28496