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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-(4-CYANOPYRIDINIUM)-DIBROMIDE
SpectraBase Compound ID 7XSZCcfDmQG
InChI InChI=1S/C29H26N4.2BrH/c30-20-26-12-16-32(17-13-26)22-28-8-4-24(5-9-28)2-1-3-25-6-10-29(11-7-25)23-33-18-14-27(21-31)15-19-33;;/h4-19H,1-3,22-23H2;2*1H/q+2;;/p-2
InChIKey DIIPWCWRVKHFKV-UHFFFAOYSA-L
Mol Weight 590.363 g/mol
Molecular Formula C29H26Br2N4
Exact Mass 588.052423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LO4Pf3ATA7t
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-(4-CYANOPYRIDINIUM)-DIBROMIDE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26Br2N4
InChI InChI=1S/C29H26N4.2BrH/c30-20-26-12-16-32(17-13-26)22-28-8-4-24(5-9-28)2-1-3-25-6-10-29(11-7-25)23-33-18-14-27(21-31)15-19-33;;/h4-19H,1-3,22-23H2;2*1H/q+2;;/p-2
InChIKey DIIPWCWRVKHFKV-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 590.360 g/mol
Solvent CD3OD
Source File Reference UWVN28476