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5-(4-CHLORO-2-HYDROXYPHENYL)-3-(2,4-DICHLOROPHENYL)-1-DECYL-PYRAZOLE
SpectraBase Compound ID MxpESxJAYb
InChI InChI=1S/C25H29Cl3N2O/c1-2-3-4-5-6-7-8-9-14-30-24(21-13-11-19(27)16-25(21)31)17-23(29-30)20-12-10-18(26)15-22(20)28/h10-13,15-17,31H,2-9,14H2,1H3
InChIKey XMPBAVFVBLQMLN-UHFFFAOYSA-N
Mol Weight 479.88 g/mol
Molecular Formula C25H29Cl3N2O
Exact Mass 478.134547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99OgCF61LtH
Name 5-(4-CHLORO-2-HYDROXYPHENYL)-3-(2,4-DICHLOROPHENYL)-1-DECYL-PYRAZOLE
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29Cl3N2O
InChI InChI=1S/C25H29Cl3N2O/c1-2-3-4-5-6-7-8-9-14-30-24(21-13-11-19(27)16-25(21)31)17-23(29-30)20-12-10-18(26)15-22(20)28/h10-13,15-17,31H,2-9,14H2,1H3
InChIKey XMPBAVFVBLQMLN-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 479.877 g/mol
Sample ID 68612
Solvent CDCl3