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1,1'-[ETHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[4-(N-METHYLANILINO)-PYRIDINIUM]-DIBROMIDE

View entire compound with spectra: 2 NMR

1,1'-[ETHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[4-(N-METHYLANILINO)-PYRIDINIUM]-DIBROMIDE
SpectraBase Compound ID CYu0bp2nJnO
InChI InChI=1S/C40H40N4.2BrH/c1-41(37-9-5-3-6-10-37)39-23-27-43(28-24-39)31-35-19-15-33(16-20-35)13-14-34-17-21-36(22-18-34)32-44-29-25-40(26-30-44)42(2)38-11-7-4-8-12-38;;/h3-12,15-30H,13-14,31-32H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WFGHVRIBTNTCAT-UHFFFAOYSA-L
Mol Weight 736.596 g/mol
Molecular Formula C40H40Br2N4
Exact Mass 734.161973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IVoNiwNYzV
Name 1,1'-[ETHYLENEBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-[4-(N-METHYLANILINO)-PYRIDINIUM]-DIBROMIDE
Compound Number 58
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H40Br2N4
InChI InChI=1S/C40H40N4.2BrH/c1-41(37-9-5-3-6-10-37)39-23-27-43(28-24-39)31-35-19-15-33(16-20-35)13-14-34-17-21-36(22-18-34)32-44-29-25-40(26-30-44)42(2)38-11-7-4-8-12-38;;/h3-12,15-30H,13-14,31-32H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WFGHVRIBTNTCAT-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 736.592 g/mol
Solvent DMSO-D6
Source File Reference UWVN28491