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N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLISOBUTYRYLIDEN]-1-YL]-ETHYLENEDIAMINE
SpectraBase Compound ID 7gLFRyj3NVy
InChI InChI=1S/C30H52N6O2/c1-9-11-13-15-19-35-29(37)25(23(7)33-35)27(21(3)4)31-17-18-32-28(22(5)6)26-24(8)34-36(30(26)38)20-16-14-12-10-2/h21-22,31-32H,9-20H2,1-8H3/b27-25-,28-26+
InChIKey LALSNHZBBIBPMO-ZQZMJUSDSA-N
Mol Weight 528.8 g/mol
Molecular Formula C30H52N6O2
Exact Mass 528.415175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pFKp6qyuyC
Name N,N'-BIS-[[1-(N-HEXYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-YLISOBUTYRYLIDEN]-1-YL]-ETHYLENEDIAMINE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52N6O2
InChI InChI=1S/C30H52N6O2/c1-9-11-13-15-19-35-29(37)25(23(7)33-35)27(21(3)4)31-17-18-32-28(22(5)6)26-24(8)34-36(30(26)38)20-16-14-12-10-2/h21-22,31-32H,9-20H2,1-8H3/b27-25-,28-26+
InChIKey LALSNHZBBIBPMO-ZQZMJUSDSA-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 528.782 g/mol
Solvent CDCl3
Source File Reference UWLU7078