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1-[3-(4-METHYLPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-HEXADECAN-1-ONE
SpectraBase Compound ID 8l57fFr91hX
InChI InChI=1S/C27H41Cl3N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(33)32-26(34,27(28,29)30)21-24(31-32)23-19-17-22(2)18-20-23/h17-20,34H,3-16,21H2,1-2H3
InChIKey SOHRXYAWEAIMIX-UHFFFAOYSA-N
Mol Weight 532.0 g/mol
Molecular Formula C27H41Cl3N2O2
Exact Mass 530.223362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sL2UdNekJh
Name 1-[3-(4-METHYLPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-HEXADECAN-1-ONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H41Cl3N2O2
InChI InChI=1S/C27H41Cl3N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(33)32-26(34,27(28,29)30)21-24(31-32)23-19-17-22(2)18-20-23/h17-20,34H,3-16,21H2,1-2H3
InChIKey SOHRXYAWEAIMIX-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 531.994 g/mol
Source File Reference UWBT5508