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(4-ISOPROPYL-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-2-METHYLBENZOATE
SpectraBase Compound ID Bwcr2WZSLKC
InChI InChI=1S/C21H22N2O2/c1-14(2)19-16(4)22-23(17-11-6-5-7-12-17)20(19)25-21(24)18-13-9-8-10-15(18)3/h5-14H,1-4H3
InChIKey APWPYJHRHZHJAY-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2hdl4fSkZo
Name (4-ISOPROPYL-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-2-METHYLBENZOATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-14(2)19-16(4)22-23(17-11-6-5-7-12-17)20(19)25-21(24)18-13-9-8-10-15(18)3/h5-14H,1-4H3
InChIKey APWPYJHRHZHJAY-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 334.418 g/mol
Sample ID 67526
Solvent CDCl3