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4,4'-[(2-CHLOROPHENYL)-METHYLENE]-BIS-[1-PHENYL-3-(TRIFLUROMETHYL)-1H-PYRAZOL-5-OL]
SpectraBase Compound ID KdXxJEP64ml
InChI InChI=1S/C27H17ClF6N4O2/c28-18-14-8-7-13-17(18)19(20-22(26(29,30)31)35-37(24(20)39)15-9-3-1-4-10-15)21-23(27(32,33)34)36-38(25(21)40)16-11-5-2-6-12-16/h1-14,19,39-40H
InChIKey JWDRHXBXCCGUGV-UHFFFAOYSA-N
Mol Weight 578.9 g/mol
Molecular Formula C27H17ClF6N4O2
Exact Mass 578.094422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9a5wa1P3Ndd
Name 4,4'-[(2-CHLOROPHENYL)-METHYLENE]-BIS-[1-PHENYL-3-(TRIFLUROMETHYL)-1H-PYRAZOL-5-OL]
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H17ClF6N4O2
InChI InChI=1S/C27H17ClF6N4O2/c28-18-14-8-7-13-17(18)19(20-22(26(29,30)31)35-37(24(20)39)15-9-3-1-4-10-15)21-23(27(32,33)34)36-38(25(21)40)16-11-5-2-6-12-16/h1-14,19,39-40H
InChIKey JWDRHXBXCCGUGV-UHFFFAOYSA-N
Literature Reference Author C.GUO,W.HOLZER
Literature Reference Citation MOLBANK,M605(2009)
Molecular Weight 578.901 g/mol
Solvent DMSO-D6
Source File Reference UWLU83072