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N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLPROPYLIDEN]-1-YL]-TRANS-1,2-DIAMINOCYCLOHEXANE

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N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLPROPYLIDEN]-1-YL]-TRANS-1,2-DIAMINOCYCLOHEXANE
SpectraBase Compound ID L2VMmgKe2ZP
InChI InChI=1S/C32H54N6O2/c1-7-11-13-17-21-37-31(39)29(23(5)35-37)25(9-3)33-27-19-15-16-20-28(27)34-26(10-4)30-24(6)36-38(32(30)40)22-18-14-12-8-2/h27-28,33-34H,7-22H2,1-6H3/b29-25+,30-26+
InChIKey QOHKHCRUSHCHBF-XDHTVYJESA-N
Mol Weight 554.8 g/mol
Molecular Formula C32H54N6O2
Exact Mass 554.430825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJFjkKz4UqD
Name N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLPROPYLIDEN]-1-YL]-TRANS-1,2-DIAMINOCYCLOHEXANE
Compound Number 4E
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H54N6O2
InChI InChI=1S/C32H54N6O2/c1-7-11-13-17-21-37-31(39)29(23(5)35-37)25(9-3)33-27-19-15-16-20-28(27)34-26(10-4)30-24(6)36-38(32(30)40)22-18-14-12-8-2/h27-28,33-34H,7-22H2,1-6H3/b29-25+,30-26+
InChIKey QOHKHCRUSHCHBF-XDHTVYJESA-N
Literature Reference Author J.BELMAR,F.R.PEREZ,J.ALDERETE,C.ZUNIGA
Literature Reference Citation J.BRAZ.CHEM.SOC.,16,179(2005)
Molecular Weight 554.820 g/mol
Solvent DMSO-D6
Source File Reference UWLU7077