John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4rzqV1tbCol SpectraBase Spectrum ID=8KJXgJb3HtJ

(accessed ).
(E)-3(5)-[BETA-(4-FLUORO-3-METHOXYPHENYL)-ETHENYL]-5(3)-PHENYL-1H-PYRAZOLE;MAJOR-ISOMER
SpectraBase Compound ID 4rzqV1tbCol
InChI InChI=1S/C18H15FN2O/c1-22-18-11-13(8-10-16(18)19)7-9-15-12-17(21-20-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b9-7+
InChIKey XSEZJHVZNBKLEQ-VQHVLOKHSA-N
Mol Weight 294.33 g/mol
Molecular Formula C18H15FN2O
Exact Mass 294.116841 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KJXgJb3HtJ
Name (E)-3(5)-[BETA-(4-FLUORO-3-METHOXYPHENYL)-ETHENYL]-5(3)-PHENYL-1H-PYRAZOLE;MINOR-ISOMER
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15FN2O
InChI InChI=1S/C18H15FN2O/c1-22-18-11-13(8-10-16(18)19)7-9-15-12-17(21-20-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)/b9-7+
InChIKey XSEZJHVZNBKLEQ-VQHVLOKHSA-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
Solvent DMSO-D6
Source File Reference UWPA6009
SpectraBase Batch ID IEk5H53c3p4