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4,4'-[(2,4-DICHLOROPHENYL)-METHYLENE]-BIS-[1-PHENYL-3-(TRIFLUROMETHYL)-1H-PYRAZOL-5-OL]
SpectraBase Compound ID 901ilF6y69B
InChI InChI=1S/C27H16Cl2F6N4O2/c28-14-11-12-17(18(29)13-14)19(20-22(26(30,31)32)36-38(24(20)40)15-7-3-1-4-8-15)21-23(27(33,34)35)37-39(25(21)41)16-9-5-2-6-10-16/h1-13,19,40-41H
InChIKey HUPZMMHTXFVKLO-UHFFFAOYSA-N
Mol Weight 613.35 g/mol
Molecular Formula C27H16Cl2F6N4O2
Exact Mass 612.05545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iSQDd1aDZj
Name 4,4'-[(2,4-DICHLOROPHENYL)-METHYLENE]-BIS-[1-PHENYL-3-(TRIFLUROMETHYL)-1H-PYRAZOL-5-OL]
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H16Cl2F6N4O2
InChI InChI=1S/C27H16Cl2F6N4O2/c28-14-11-12-17(18(29)13-14)19(20-22(26(30,31)32)36-38(24(20)40)15-7-3-1-4-8-15)21-23(27(33,34)35)37-39(25(21)41)16-9-5-2-6-10-16/h1-13,19,40-41H
InChIKey HUPZMMHTXFVKLO-UHFFFAOYSA-N
Literature Reference Author C.GUO,W.HOLZER
Literature Reference Citation MOLBANK,M605(2009)
Molecular Weight 613.346 g/mol
Solvent DMSO-D6
Source File Reference UWLU83073