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1-[5-HYDROXY-3-METHYL-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-HEXADECAN-1-ONE
SpectraBase Compound ID ElDizzuJz6O
InChI InChI=1S/C21H37Cl3N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(27)26-20(28,21(22,23)24)17-18(2)25-26/h28H,3-17H2,1-2H3
InChIKey WGCCUKOMQQBHBX-UHFFFAOYSA-N
Mol Weight 455.9 g/mol
Molecular Formula C21H37Cl3N2O2
Exact Mass 454.192062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILo8CH3eJBE
Name 1-[5-HYDROXY-3-METHYL-5-(TRICHLOROMETHYL)-4,5-DIHYDROPYRAZOL-1-YL]-HEXADECAN-1-ONE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H37Cl3N2O2
InChI InChI=1S/C21H37Cl3N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(27)26-20(28,21(22,23)24)17-18(2)25-26/h28H,3-17H2,1-2H3
InChIKey WGCCUKOMQQBHBX-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 455.896 g/mol
Source File Reference UWBT5523