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3-ACETYL-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
SpectraBase Compound ID GfprC4h1DxN
InChI InChI=1S/C12H8ClN3O/c1-8(17)12-9(6-14)7-16(15-12)11-4-2-10(13)3-5-11/h2-5,7H,1H3
InChIKey GQEUPIOVFZCXQJ-UHFFFAOYSA-N
Mol Weight 245.67 g/mol
Molecular Formula C12H8ClN3O
Exact Mass 245.03559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArqeDFNC4ae
Name 3-ACETYL-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8ClN3O
InChI InChI=1S/C12H8ClN3O/c1-8(17)12-9(6-14)7-16(15-12)11-4-2-10(13)3-5-11/h2-5,7H,1H3
InChIKey GQEUPIOVFZCXQJ-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 245.668 g/mol
Sample ID 42241
Solvent DMSO-D6