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1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-DIALLYLAMINO)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID CnHK9GnTT9F
InChI InChI=1S/C38H44N4.2BrH/c1-5-23-41(24-6-2)37-19-27-39(28-20-37)31-35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)32-40-29-21-38(22-30-40)42(25-7-3)26-8-4;;/h5-8,11-22,27-30H,1-4,9-10,23-26,31-32H2;2*1H/q+2;;/p-2
InChIKey VYEUBUTUSWMBNI-UHFFFAOYSA-L
Mol Weight 716.606 g/mol
Molecular Formula C38H44Br2N4
Exact Mass 714.193273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWSWpNEFGgE
Name 1,1'-[METHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[(4-DIALLYLAMINO)-PYRIDINIUM]-DIBROMIDE
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44Br2N4
InChI InChI=1S/C38H44N4.2BrH/c1-5-23-41(24-6-2)37-19-27-39(28-20-37)31-35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)32-40-29-21-38(22-30-40)42(25-7-3)26-8-4;;/h5-8,11-22,27-30H,1-4,9-10,23-26,31-32H2;2*1H/q+2;;/p-2
InChIKey VYEUBUTUSWMBNI-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 716.602 g/mol
Solvent CD3OD
Source File Reference UWVN28478