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(E)-3(5)-[BETA-(2,5-DIFLUORO-4-HYDROXYPHENYL)-ETHENYL]-5(3)-PHENYL-1H-PYRAZOLE;MAJOR-ISOMER
SpectraBase Compound ID Bw1VUopH9Mn
InChI InChI=1S/C17H12F2N2O/c18-14-10-17(22)15(19)8-12(14)6-7-13-9-16(21-20-13)11-4-2-1-3-5-11/h1-10,22H,(H,20,21)/b7-6+
InChIKey KUPZLZGYKVZNIL-VOTSOKGWSA-N
Mol Weight 298.29 g/mol
Molecular Formula C17H12F2N2O
Exact Mass 298.091769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MXGg1HzuZs
Name (E)-3(5)-[BETA-(2,5-DIFLUORO-4-HYDROXYPHENYL)-ETHENYL]-5(3)-PHENYL-1H-PYRAZOLE;MINOR-ISOMER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12F2N2O
InChI InChI=1S/C17H12F2N2O/c18-14-10-17(22)15(19)8-12(14)6-7-13-9-16(21-20-13)11-4-2-1-3-5-11/h1-10,22H,(H,20,21)/b7-6+
InChIKey KUPZLZGYKVZNIL-VOTSOKGWSA-N
Literature Reference Author C.I.NIETO,M.P.CABILDO,M.P.CORNAGO,D.SANZ,R.M.CLARAMUNT,M.C.T ORRALBA,M.R.TORRES,J
Literature Reference Citation MOLECULES,20,15643(2015)
Literature Reference DOI 10.3390/molecules200915643
Molecular Weight 298.292 g/mol
Solvent DMSO-D6
Source File Reference UWPA6007