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(R,R)-(-)-N,N'-BIS-[3-METHYL-5-(PYRIDINIUM-1-YLMETHYL)-SALICYLIDENE]-1,2-CYCLOHEXANEDIAMINE-DIBROMIDE
SpectraBase Compound ID 3aqrdLrr8Kh
InChI InChI=1S/C34H36N4O2.2BrH/c1-25-17-27(33(39)29(19-25)23-37-13-7-3-8-14-37)21-35-31-11-5-6-12-32(31)36-22-28-18-26(2)20-30(34(28)40)24-38-15-9-4-10-16-38;;/h3-4,7-10,13-22,31-32H,5-6,11-12,23-24H2,1-2H3;2*1H
InChIKey WATQKRGEUPIWOK-UHFFFAOYSA-N
Mol Weight 694.512 g/mol
Molecular Formula C34H38Br2N4O2
Exact Mass 692.136152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQHM7QZBg8x
Name (R,R)-(-)-N,N'-BIS-[3-METHYL-5-(PYRIDINIUM-1-YLMETHYL)-SALICYLIDENE]-1,2-CYCLOHEXANEDIAMINE-DIBROMIDE
Compound Number 14CA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38Br2N4O2
InChI InChI=1S/C34H36N4O2.2BrH/c1-25-17-27(33(39)29(19-25)23-37-13-7-3-8-14-37)21-35-31-11-5-6-12-32(31)36-22-28-18-26(2)20-30(34(28)40)24-38-15-9-4-10-16-38;;/h3-4,7-10,13-22,31-32H,5-6,11-12,23-24H2,1-2H3;2*1H
InChIKey WATQKRGEUPIWOK-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 694.509 g/mol
Sample ID 947
Solvent CDCl3