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[1-(4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-PYRAZOL-5-YL]-ACETONITRILE
SpectraBase Compound ID CsrEef7gwj6
InChI InChI=1S/C18H14FN3/c1-13-2-4-14(5-3-13)18-12-17(10-11-20)22(21-18)16-8-6-15(19)7-9-16/h2-9,12H,10H2,1H3
InChIKey RXTSJJYKJGXMSK-UHFFFAOYSA-N
Mol Weight 291.33 g/mol
Molecular Formula C18H14FN3
Exact Mass 291.117176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2COZYJkt7La
Name [1-(4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-PYRAZOL-5-YL]-ACETONITRILE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14FN3
InChI InChI=1S/C18H14FN3/c1-13-2-4-14(5-3-13)18-12-17(10-11-20)22(21-18)16-8-6-15(19)7-9-16/h2-9,12H,10H2,1H3
InChIKey RXTSJJYKJGXMSK-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 291.328 g/mol
Sample ID 38556
Solvent DMSO-D6