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[1-(4-CHLOROPHENYL)-3-(4-METHOXYPHENYL)-PYRAZOL-5-YL]-ACETONITRILE
SpectraBase Compound ID 5ru7zwIgL7N
InChI InChI=1S/C18H14ClN3O/c1-23-17-8-2-13(3-9-17)18-12-16(10-11-20)22(21-18)15-6-4-14(19)5-7-15/h2-9,12H,10H2,1H3
InChIKey MXUXXQGRSIPECX-UHFFFAOYSA-N
Mol Weight 323.78 g/mol
Molecular Formula C18H14ClN3O
Exact Mass 323.08254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JF5YqMGEoLm
Name [1-(4-CHLOROPHENYL)-3-(4-METHOXYPHENYL)-PYRAZOL-5-YL]-ACETONITRILE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14ClN3O
InChI InChI=1S/C18H14ClN3O/c1-23-17-8-2-13(3-9-17)18-12-16(10-11-20)22(21-18)15-6-4-14(19)5-7-15/h2-9,12H,10H2,1H3
InChIKey MXUXXQGRSIPECX-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 323.782 g/mol
Sample ID 38563
Solvent DMSO-D6