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[1-(4-METHOXYBENZYL)-1H-PYRAZOL-5-YL]-5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE

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[1-(4-METHOXYBENZYL)-1H-PYRAZOL-5-YL]-5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
SpectraBase Compound ID 6sIURwSzvSm
InChI InChI=1S/C22H19ClN4O3/c1-15-20(21(23)27(25-15)17-6-4-3-5-7-17)22(28)30-19-12-13-24-26(19)14-16-8-10-18(29-2)11-9-16/h3-13H,14H2,1-2H3
InChIKey WJPOTSPLVCDXDA-UHFFFAOYSA-N
Mol Weight 422.87 g/mol
Molecular Formula C22H19ClN4O3
Exact Mass 422.114568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuOLjzYvuSB
Name [1-(4-METHOXYBENZYL)-1H-PYRAZOL-5-YL]-5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19ClN4O3
InChI InChI=1S/C22H19ClN4O3/c1-15-20(21(23)27(25-15)17-6-4-3-5-7-17)22(28)30-19-12-13-24-26(19)14-16-8-10-18(29-2)11-9-16/h3-13H,14H2,1-2H3
InChIKey WJPOTSPLVCDXDA-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 422.871 g/mol
Sample ID 72414
Solvent CDCl3