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1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-(4-METHYLPYRIDINIUM)-DIBROMIDE
SpectraBase Compound ID Cdtlyid0SHy
InChI InChI=1S/C29H32N2.2BrH/c1-24-14-18-30(19-15-24)22-28-10-6-26(7-11-28)4-3-5-27-8-12-29(13-9-27)23-31-20-16-25(2)17-21-31;;/h6-21H,3-5,22-23H2,1-2H3;2*1H/q+2;;/p-2
InChIKey TVBWSDBAHFANGH-UHFFFAOYSA-L
Mol Weight 568.397 g/mol
Molecular Formula C29H32Br2N2
Exact Mass 566.093225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Fq9vrOWzVR
Name 1,1'-[PROPANE-1,3-DIYLBIS-(BENZENE-1,4-DIYLMETHYLENE)]-BIS-(4-METHYLPYRIDINIUM)-DIBROMIDE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32Br2N2
InChI InChI=1S/C29H32N2.2BrH/c1-24-14-18-30(19-15-24)22-28-10-6-26(7-11-28)4-3-5-27-8-12-29(13-9-27)23-31-20-16-25(2)17-21-31;;/h6-21H,3-5,22-23H2,1-2H3;2*1H/q+2;;/p-2
InChIKey TVBWSDBAHFANGH-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 568.394 g/mol
Solvent CD3OD
Source File Reference UWVN28473