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5-(4,6-CHLORO-2-DECYLOXYPHENYL)-1-DECYL-3-(2,4-DICHLOROPHENYL)-PYRAZOLE
SpectraBase Compound ID DKFLAEWvCz9
InChI InChI=1S/C35H48Cl4N2O/c1-3-5-7-9-11-13-15-17-21-41-33(26-32(40-41)29-20-19-27(36)23-30(29)38)35-31(39)24-28(37)25-34(35)42-22-18-16-14-12-10-8-6-4-2/h19-20,23-26H,3-18,21-22H2,1-2H3
InChIKey PDJYYPDPQUVRFF-UHFFFAOYSA-N
Mol Weight 654.6 g/mol
Molecular Formula C35H48Cl4N2O
Exact Mass 652.252075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1z1FYuES6L6
Name 5-(4,6-CHLORO-2-DECYLOXYPHENYL)-1-DECYL-3-(2,4-DICHLOROPHENYL)-PYRAZOLE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H48Cl4N2O
InChI InChI=1S/C35H48Cl4N2O/c1-3-5-7-9-11-13-15-17-21-41-33(26-32(40-41)29-20-19-27(36)23-30(29)38)35-31(39)24-28(37)25-34(35)42-22-18-16-14-12-10-8-6-4-2/h19-20,23-26H,3-18,21-22H2,1-2H3
InChIKey PDJYYPDPQUVRFF-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 654.591 g/mol
Sample ID 68596
Solvent CDCl3