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1-[3-(4-CHLOROPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOLE]-HEXADECAN-1-ONE
SpectraBase Compound ID IZUvO8T4d0p
InChI InChI=1S/C26H38Cl4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(33)32-25(34,26(28,29)30)20-23(31-32)21-16-18-22(27)19-17-21/h16-19,34H,2-15,20H2,1H3
InChIKey OIUVLEVXLVVEKL-UHFFFAOYSA-N
Mol Weight 552.4 g/mol
Molecular Formula C26H38Cl4N2O2
Exact Mass 550.168739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2iclMQce5PM
Name 1-[3-(4-CHLOROPHENYL)-5-HYDROXY-5-(TRICHLOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOLE]-HEXADECAN-1-ONE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38Cl4N2O2
InChI InChI=1S/C26H38Cl4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(33)32-25(34,26(28,29)30)20-23(31-32)21-16-18-22(27)19-17-21/h16-19,34H,2-15,20H2,1H3
InChIKey OIUVLEVXLVVEKL-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 552.412 g/mol
Source File Reference UWBT5514