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(1-BENZYL-5-HYDROXY-3-METHYL-1H-PYRAZOL-4-YL)-(5-CHLORO-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE

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(1-BENZYL-5-HYDROXY-3-METHYL-1H-PYRAZOL-4-YL)-(5-CHLORO-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
SpectraBase Compound ID 6B2iZcifTKd
InChI InChI=1S/C21H17ClN4O3/c1-29-16-9-7-14(8-10-16)13-25-21(28)18(12-23-25)19(27)17-11-24-26(20(17)22)15-5-3-2-4-6-15/h2-12,28H,13H2,1H3
InChIKey LBAQIXYSRGIPSC-UHFFFAOYSA-N
Mol Weight 408.85 g/mol
Molecular Formula C21H17ClN4O3
Exact Mass 408.098918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVql2VhrMnW
Name (1-BENZYL-5-HYDROXY-3-METHYL-1H-PYRAZOL-4-YL)-(5-CHLORO-1-PHENYL-1H-PYRAZOL-4-YL)-METHANONE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClN4O3
InChI InChI=1S/C21H17ClN4O3/c1-29-16-9-7-14(8-10-16)13-25-21(28)18(12-23-25)19(27)17-11-24-26(20(17)22)15-5-3-2-4-6-15/h2-12,28H,13H2,1H3
InChIKey LBAQIXYSRGIPSC-UHFFFAOYSA-N
Literature Reference Author B.DATTERL,N.TROESTNER,D.KUCKARSKI,W.HOLZER
Literature Reference Citation MOLECULES,15,6106(2010)
Literature Reference DOI 10.3390/molecules15096106
Molecular Weight 408.844 g/mol
Sample ID 72411
Solvent CDCl3