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3-(4-CHLORO-2-HYDROXYPHENYL)-5-(2,4-DICHLOROPHENYL)-1-DODECYL-PYRAZOLE
SpectraBase Compound ID LUf2W6kySkV
InChI InChI=1S/C27H33Cl3N2O/c1-2-3-4-5-6-7-8-9-10-11-16-32-26(22-14-12-20(28)17-24(22)30)19-25(31-32)23-15-13-21(29)18-27(23)33/h12-15,17-19,33H,2-11,16H2,1H3
InChIKey FZSMNFLXGDGYBH-UHFFFAOYSA-N
Mol Weight 507.9 g/mol
Molecular Formula C27H33Cl3N2O
Exact Mass 506.165847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5caWsoUQMXp
Name 3-(4-CHLORO-2-HYDROXYPHENYL)-5-(2,4-DICHLOROPHENYL)-1-DODECYL-PYRAZOLE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33Cl3N2O
InChI InChI=1S/C27H33Cl3N2O/c1-2-3-4-5-6-7-8-9-10-11-16-32-26(22-14-12-20(28)17-24(22)30)19-25(31-32)23-15-13-21(29)18-27(23)33/h12-15,17-19,33H,2-11,16H2,1H3
InChIKey FZSMNFLXGDGYBH-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 507.931 g/mol
Sample ID 68609
Solvent CDCl3