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4-[1-(2-AMINOPHENYL)-AMINOETHYLIDENE]-1-(N-HEXYL)-3-METHYL-2-PYRAZOLIN-5-ONE
SpectraBase Compound ID HnwTbJt799W
InChI InChI=1S/C18H26N4O/c1-4-5-6-9-12-22-18(23)17(14(3)21-22)13(2)20-16-11-8-7-10-15(16)19/h7-8,10-11,20H,4-6,9,12,19H2,1-3H3/b17-13+
InChIKey PBPSNXMBTBTWGG-GHRIWEEISA-N
Mol Weight 314.43 g/mol
Molecular Formula C18H26N4O
Exact Mass 314.210661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IO5EfZMzTd
Name 4-[1-(2-AMINOPHENYL)-AMINOETHYLIDENE]-1-(N-HEXYL)-3-METHYL-2-PYRAZOLIN-5-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N4O
InChI InChI=1S/C18H26N4O/c1-4-5-6-9-12-22-18(23)17(14(3)21-22)13(2)20-16-11-8-7-10-15(16)19/h7-8,10-11,20H,4-6,9,12,19H2,1-3H3/b17-13+
InChIKey PBPSNXMBTBTWGG-GHRIWEEISA-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 314.431 g/mol
Solvent CDCl3
Source File Reference UWLU7079