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N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLETHYLIDEN]-1-YL]-1,2-DIAMINOPROPANE

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N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLETHYLIDEN]-1-YL]-1,2-DIAMINOPROPANE
SpectraBase Compound ID IjknVDGNrhV
InChI InChI=1S/C27H46N6O2/c1-8-10-12-14-16-32-26(34)24(22(6)30-32)20(4)28-18-19(3)29-21(5)25-23(7)31-33(27(25)35)17-15-13-11-9-2/h19,28-29H,8-18H2,1-7H3/b24-20+,25-21+
InChIKey BTQRZOWDRHLFIR-CTWPWMDCSA-N
Mol Weight 486.7 g/mol
Molecular Formula C27H46N6O2
Exact Mass 486.368225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nzr8G4XNxZ
Name N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLETHYLIDEN]-1-YL]-1,2-DIAMINOPROPANE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46N6O2
InChI InChI=1S/C27H46N6O2/c1-8-10-12-14-16-32-26(34)24(22(6)30-32)20(4)28-18-19(3)29-21(5)25-23(7)31-33(27(25)35)17-15-13-11-9-2/h19,28-29H,8-18H2,1-7H3/b24-20+,25-21+
InChIKey BTQRZOWDRHLFIR-CTWPWMDCSA-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 486.701 g/mol
Solvent CDCl3
Source File Reference UWLU7074