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4,4'-(PHENYLMETHYLENE)-BIS-[1-PHENYL-3-(TRIFLUROMETHYL)-1H-PYRAZOL-5-OL]
SpectraBase Compound ID DsVqTYuXGFQ
InChI InChI=1S/C27H18F6N4O2/c28-26(29,30)22-20(24(38)36(34-22)17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-23(27(31,32)33)35-37(25(21)39)18-14-8-3-9-15-18/h1-15,19,38-39H
InChIKey KSALXRLFIQIBHY-UHFFFAOYSA-N
Mol Weight 544.46 g/mol
Molecular Formula C27H18F6N4O2
Exact Mass 544.133395 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bo8n2HYGHZ
Name 4,4'-(PHENYLMETHYLENE)-BIS-[1-PHENYL-3-(TRIFLUROMETHYL)-1H-PYRAZOL-5-OL]
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18F6N4O2
InChI InChI=1S/C27H18F6N4O2/c28-26(29,30)22-20(24(38)36(34-22)17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-23(27(31,32)33)35-37(25(21)39)18-14-8-3-9-15-18/h1-15,19,38-39H
InChIKey KSALXRLFIQIBHY-UHFFFAOYSA-N
Literature Reference Author C.GUO,W.HOLZER
Literature Reference Citation MOLBANK,M605(2009)
Solvent DMSO-D6
Source File Reference UWLU83071