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BHBAAGBQFFMIMH-UHFFFAOYSA-N
SpectraBase Compound ID DO4X6UzY0FN
InChI InChI=1S/C20H20N2O2/c1-14(2)18-15(3)21-22(17-12-8-5-9-13-17)19(18)24-20(23)16-10-6-4-7-11-16/h4-14H,1-3H3
InChIKey BHBAAGBQFFMIMH-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C20H20N2O2
Exact Mass 320.152478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1W5iIOkxnE2
Name (4-ISOPROPYL-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-BENZOATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N2O2
InChI InChI=1S/C20H20N2O2/c1-14(2)18-15(3)21-22(17-12-8-5-9-13-17)19(18)24-20(23)16-10-6-4-7-11-16/h4-14H,1-3H3
InChIKey BHBAAGBQFFMIMH-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 320.391 g/mol
Sample ID 67525
Solvent CDCl3