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4,5-DIHYDRO-5-HYDROXY-3-(4-METHYLPHENYL)-1-(4-NITROPHENYL)-5-TRIFLUOROMETHYLPYRAZOLE
SpectraBase Compound ID G2Tfhiqn8lk
InChI InChI=1S/C17H14F3N3O3/c1-11-2-4-12(5-3-11)15-10-16(24,17(18,19)20)22(21-15)13-6-8-14(9-7-13)23(25)26/h2-9,24H,10H2,1H3/t16-/m1/s1
InChIKey DYYYTWJLQCDDAC-MRXNPFEDSA-N
Mol Weight 365.31 g/mol
Molecular Formula C17H14F3N3O3
Exact Mass 365.098726 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBpBPOykcdB
Name 4,5-DIHYDRO-5-HYDROXY-3-(4-METHYLPHENYL)-1-(4-NITROPHENYL)-5-TRIFLUOROMETHYLPYRAZOLE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14F3N3O3
InChI InChI=1S/C17H14F3N3O3/c1-11-2-4-12(5-3-11)15-10-16(24,17(18,19)20)22(21-15)13-6-8-14(9-7-13)23(25)26/h2-9,24H,10H2,1H3/t16-/m1/s1
InChIKey DYYYTWJLQCDDAC-MRXNPFEDSA-N
Literature Reference Author A.G.HABEEB,P.N.P.RAO,E.E.KNAUS
Literature Reference Citation J.MED.CHEM.,44,3039(2001)
Literature Reference DOI 10.1021/jm010153c
Solvent CDCl3
Source File Reference UWSI45076