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3-(4-CHLORO-2-DECYLOXYPHENYL)-1-DECYL-5-(2,4-DICHLOROPHENYL)-PYRAZOLE
SpectraBase Compound ID FMCJddnWO7t
InChI InChI=1S/C35H49Cl3N2O/c1-3-5-7-9-11-13-15-17-23-40-34(30-21-19-28(36)25-32(30)38)27-33(39-40)31-22-20-29(37)26-35(31)41-24-18-16-14-12-10-8-6-4-2/h19-22,25-27H,3-18,23-24H2,1-2H3
InChIKey SWNWLRLCTQFSIY-UHFFFAOYSA-N
Mol Weight 620.1 g/mol
Molecular Formula C35H49Cl3N2O
Exact Mass 618.291047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HV4cBSHYcPQ
Name 3-(4-CHLORO-2-DECYLOXYPHENYL)-1-DECYL-5-(2,4-DICHLOROPHENYL)-PYRAZOLE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H49Cl3N2O
InChI InChI=1S/C35H49Cl3N2O/c1-3-5-7-9-11-13-15-17-23-40-34(30-21-19-28(36)25-32(30)38)27-33(39-40)31-22-20-29(37)26-35(31)41-24-18-16-14-12-10-8-6-4-2/h19-22,25-27H,3-18,23-24H2,1-2H3
InChIKey SWNWLRLCTQFSIY-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 620.146 g/mol
Sample ID 68593
Solvent CDCl3