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1-[3-(4-METHYLPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-OCTADECAN-1-ONE
SpectraBase Compound ID A5Se9LNak9G
InChI InChI=1S/C29H45Cl3N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)34-28(36,29(30,31)32)23-26(33-34)25-21-19-24(2)20-22-25/h19-22,36H,3-18,23H2,1-2H3
InChIKey YUGNNHOKYACUBR-UHFFFAOYSA-N
Mol Weight 560.1 g/mol
Molecular Formula C29H45Cl3N2O2
Exact Mass 558.254662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bWY9tmIaH0
Name 1-[3-(4-METHYLPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-OCTADECAN-1-ONE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H45Cl3N2O2
InChI InChI=1S/C29H45Cl3N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)34-28(36,29(30,31)32)23-26(33-34)25-21-19-24(2)20-22-25/h19-22,36H,3-18,23H2,1-2H3
InChIKey YUGNNHOKYACUBR-UHFFFAOYSA-N
Literature Reference Author P.BECK,J.M.D.SANTOS,B.L.KUHN,D.N.MOREIRA,A.F.C.FLORES,M.A.P. MARTINS,M.G.M.D.OCA
Literature Reference Citation J.BRAZ.CHEM.SOC.,23,2122(2012)
Literature Reference DOI 10.1590/s0103-50532012005000071
Molecular Weight 560.048 g/mol
Source File Reference UWBT5509