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(R,R)-(-)-N,N'-BIS-[3-PENTYL-5-(PYRIDINIUM-1-YLMETHYL)-SALICYLIDENE]-1,2-CYCLOHEXANEDIAMINE-DIBROMIDE
SpectraBase Compound ID GOgtzWbFB32
InChI InChI=1S/C42H52N4O2.2BrH/c1-3-5-9-17-33-25-35(41(47)37(27-33)31-45-21-13-7-14-22-45)29-43-39-19-11-12-20-40(39)44-30-36-26-34(18-10-6-4-2)28-38(42(36)48)32-46-23-15-8-16-24-46;;/h7-8,13-16,21-30,39-40H,3-6,9-12,17-20,31-32H2,1-2H3;2*1H
InChIKey FXXRSJDDKVXRLC-UHFFFAOYSA-N
Mol Weight 806.728 g/mol
Molecular Formula C42H54Br2N4O2
Exact Mass 804.261353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7OgM8CmQCz
Name (R,R)-(-)-N,N'-BIS-[3-PENTYL-5-(PYRIDINIUM-1-YLMETHYL)-SALICYLIDENE]-1,2-CYCLOHEXANEDIAMINE-DIBROMIDE
Compound Number 14BA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H54Br2N4O2
InChI InChI=1S/C42H52N4O2.2BrH/c1-3-5-9-17-33-25-35(41(47)37(27-33)31-45-21-13-7-14-22-45)29-43-39-19-11-12-20-40(39)44-30-36-26-34(18-10-6-4-2)28-38(42(36)48)32-46-23-15-8-16-24-46;;/h7-8,13-16,21-30,39-40H,3-6,9-12,17-20,31-32H2,1-2H3;2*1H
InChIKey FXXRSJDDKVXRLC-UHFFFAOYSA-N
Literature Reference Author P.MEIER,F.BROGHAMMER,K.LATENDORF,G.RAUHUT,R.PETERS
Literature Reference Citation MOLECULES,17,7121(2012)
Literature Reference DOI 10.3390/molecules17067121
Molecular Weight 806.724 g/mol
Sample ID 946
Solvent CD2Cl2