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3-(5-ACETYL-6-METHYLPYRIDIN-2-YL)-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
SpectraBase Compound ID JWqrFAkFfQj
InChI InChI=1S/C18H13ClN4O/c1-11-16(12(2)24)7-8-17(21-11)18-13(9-20)10-23(22-18)15-5-3-14(19)4-6-15/h3-8,10H,1-2H3
InChIKey QNWDUOJCIRKBLX-UHFFFAOYSA-N
Mol Weight 336.78 g/mol
Molecular Formula C18H13ClN4O
Exact Mass 336.077789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjdRJIhOauz
Name 3-(5-ACETYL-6-METHYLPYRIDIN-2-YL)-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13ClN4O
InChI InChI=1S/C18H13ClN4O/c1-11-16(12(2)24)7-8-17(21-11)18-13(9-20)10-23(22-18)15-5-3-14(19)4-6-15/h3-8,10H,1-2H3
InChIKey QNWDUOJCIRKBLX-UHFFFAOYSA-N
Literature Reference Author S.A.S.GHOZLAN,I.A.ABDELHAMID,H.M.GABER,M.H.ELNAGDI
Literature Reference Citation J.HETCYCL.CHEM.,42,1185(2005)
Literature Reference DOI 10.1002/jhet.5570420623
Molecular Weight 336.780 g/mol
Sample ID 42247
Solvent DMSO-D6