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1-[5-AMINO-1-(2,4,6-TRICHLOROPHENYL)-PYRAZOL-4-YL]-PENTAN-1-ONE
SpectraBase Compound ID 5EwTa1DgKpu
InChI InChI=1S/C14H14Cl3N3O/c1-2-3-4-12(21)9-7-19-20(14(9)18)13-10(16)5-8(15)6-11(13)17/h5-7H,2-4,18H2,1H3
InChIKey ZJJLQWYFTASXFM-UHFFFAOYSA-N
Mol Weight 346.65 g/mol
Molecular Formula C14H14Cl3N3O
Exact Mass 345.020245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvxQQ7uDy7d
Name 1-[5-AMINO-1-(2,4,6-TRICHLOROPHENYL)-PYRAZOL-4-YL]-PENTAN-1-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14Cl3N3O
InChI InChI=1S/C14H14Cl3N3O/c1-2-3-4-12(21)9-7-19-20(14(9)18)13-10(16)5-8(15)6-11(13)17/h5-7H,2-4,18H2,1H3
InChIKey ZJJLQWYFTASXFM-UHFFFAOYSA-N
Literature Reference Author H.G.MCFADDEN,J.L.HUPPATZ
Literature Reference Citation AUSTR.J.CHEM.,44,1263(1991)
Literature Reference DOI 10.1071/ch9911263
Molecular Weight 346.644 g/mol
Solvent CDCl3
Source File Reference UWED13918