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3-(4,6-DICHLORO-2-HYDROXYPHENYL)-5-(2,4-DICHLOROPHENYL)-1-DODECYL-PYRAZOLE
SpectraBase Compound ID 7prTmki7hy6
InChI InChI=1S/C27H32Cl4N2O/c1-2-3-4-5-6-7-8-9-10-11-14-33-25(21-13-12-19(28)15-22(21)30)18-24(32-33)27-23(31)16-20(29)17-26(27)34/h12-13,15-18,34H,2-11,14H2,1H3
InChIKey LZXQGBKWYLRYEL-UHFFFAOYSA-N
Mol Weight 542.4 g/mol
Molecular Formula C27H32Cl4N2O
Exact Mass 540.126874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOMBFVeIbHf
Name 3-(4,6-DICHLORO-2-HYDROXYPHENYL)-5-(2,4-DICHLOROPHENYL)-1-DODECYL-PYRAZOLE
Compound Number 13D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32Cl4N2O
InChI InChI=1S/C27H32Cl4N2O/c1-2-3-4-5-6-7-8-9-10-11-14-33-25(21-13-12-19(28)15-22(21)30)18-24(32-33)27-23(31)16-20(29)17-26(27)34/h12-13,15-18,34H,2-11,14H2,1H3
InChIKey LZXQGBKWYLRYEL-UHFFFAOYSA-N
Literature Reference Author V.L.M.SILVA,A.M.S.SILVA,D.C.G.A.PINTO,N.JAGEROVIC,L.F.CALLAD O,J.A.S.CAVALEIRO,J.
Literature Reference Citation MH.CHEM.,138,797(2007)
Literature Reference DOI 10.1007/s00706-007-0676-4
Molecular Weight 542.376 g/mol
Sample ID 68611
Solvent CDCl3