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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-PERHYDROAZEPINO)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID 6d61TjDmBu8
InChI InChI=1S/C39H50N4.2BrH/c1-2-6-25-42(24-5-1)38-20-28-40(29-21-38)32-36-16-12-34(13-17-36)10-9-11-35-14-18-37(19-15-35)33-41-30-22-39(23-31-41)43-26-7-3-4-8-27-43;;/h12-23,28-31H,1-11,24-27,32-33H2;2*1H/q+2;;/p-2
InChIKey VTPUALFRZXHSNU-UHFFFAOYSA-L
Mol Weight 734.665 g/mol
Molecular Formula C39H50Br2N4
Exact Mass 732.240224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gjnl2vIrEIt
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-PERHYDROAZEPINO)-PYRIDINIUM]-DIBROMIDE
Compound Number 60
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H50Br2N4
InChI InChI=1S/C39H50N4.2BrH/c1-2-6-25-42(24-5-1)38-20-28-40(29-21-38)32-36-16-12-34(13-17-36)10-9-11-35-14-18-37(19-15-35)33-41-30-22-39(23-31-41)43-26-7-3-4-8-27-43;;/h12-23,28-31H,1-11,24-27,32-33H2;2*1H/q+2;;/p-2
InChIKey VTPUALFRZXHSNU-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 734.661 g/mol
Solvent CD3OD
Source File Reference UWVN28493