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[3-(4-CHLOROPHENYL)-1-(4-FLUOROPHENYL)-PYRAZOL-5-YL]-ACETONITRILE
SpectraBase Compound ID 3dw2X5QSGu2
InChI InChI=1S/C17H11ClFN3/c18-13-3-1-12(2-4-13)17-11-16(9-10-20)22(21-17)15-7-5-14(19)6-8-15/h1-8,11H,9H2
InChIKey XPKQQIBZXHFNMB-UHFFFAOYSA-N
Mol Weight 311.75 g/mol
Molecular Formula C17H11ClFN3
Exact Mass 311.062553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1R0uIOue6Np
Name [3-(4-CHLOROPHENYL)-1-(4-FLUOROPHENYL)-PYRAZOL-5-YL]-ACETONITRILE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11ClFN3
InChI InChI=1S/C17H11ClFN3/c18-13-3-1-12(2-4-13)17-11-16(9-10-20)22(21-17)15-7-5-14(19)6-8-15/h1-8,11H,9H2
InChIKey XPKQQIBZXHFNMB-UHFFFAOYSA-N
Literature Reference Author V.S.PARMAR,N.K.SHARMA,M.HUSAIN,A.C.WATTERSON,J.KUMAR,L.A.SAM UELSON,A.L.CHOLLI,A.
Literature Reference Citation BIOORG.MED.CHEM.,11,913(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00539-4
Molecular Weight 311.746 g/mol
Sample ID 38561
Solvent DMSO-D6