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1-(N-HEXYL)-4-[1-(1-HYDROXYMETHYLPROPYL)-AMINOETHYLIDENE]-3-METHYL-2-PYRAZOLIN-5-ONE
SpectraBase Compound ID BCTyWglWblR
InChI InChI=1S/C16H29N3O2/c1-5-7-8-9-10-19-16(21)15(13(4)18-19)12(3)17-14(6-2)11-20/h14,17,20H,5-11H2,1-4H3/b15-12+
InChIKey ZMXIUWRZSCITND-NTCAYCPXSA-N
Mol Weight 295.43 g/mol
Molecular Formula C16H29N3O2
Exact Mass 295.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LfXckUzzNoj
Name 1-(N-HEXYL)-4-[1-(1-HYDROXYMETHYLPROPYL)-AMINOETHYLIDENE]-3-METHYL-2-PYRAZOLIN-5-ONE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H29N3O2
InChI InChI=1S/C16H29N3O2/c1-5-7-8-9-10-19-16(21)15(13(4)18-19)12(3)17-14(6-2)11-20/h14,17,20H,5-11H2,1-4H3/b15-12+
InChIKey ZMXIUWRZSCITND-NTCAYCPXSA-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 295.425 g/mol
Solvent CDCl3
Source File Reference UWLU7081