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(4-ISOPROPYL-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-4-CHLOROBENZOATE
SpectraBase Compound ID K9cqYReb11A
InChI InChI=1S/C20H19ClN2O2/c1-13(2)18-14(3)22-23(17-7-5-4-6-8-17)19(18)25-20(24)15-9-11-16(21)12-10-15/h4-13H,1-3H3
InChIKey WLNZFMYTKKVLGA-UHFFFAOYSA-N
Mol Weight 354.84 g/mol
Molecular Formula C20H19ClN2O2
Exact Mass 354.113506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtWovZV8xjS
Name (4-ISOPROPYL-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-4-CHLOROBENZOATE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19ClN2O2
InChI InChI=1S/C20H19ClN2O2/c1-13(2)18-14(3)22-23(17-7-5-4-6-8-17)19(18)25-20(24)15-9-11-16(21)12-10-15/h4-13H,1-3H3
InChIKey WLNZFMYTKKVLGA-UHFFFAOYSA-N
Literature Reference Author H.MARUOKA,K.YAMAGATA,F.OKABE,Y.TOMIOKA
Literature Reference Citation J.HETCYCL.CHEM.,43,859(2006)
Literature Reference DOI 10.1002/jhet.5570430408
Molecular Weight 354.836 g/mol
Sample ID 67528
Solvent CDCl3