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METHYL-5-BENZOYL-4-(4-METHOXYBENZYL)-1H-PYRAZOLE-3-CARBOXYLATE
SpectraBase Compound ID FdXqimE2ZFS
InChI InChI=1S/C20H18N2O4/c1-25-15-10-8-13(9-11-15)12-16-17(21-22-18(16)20(24)26-2)19(23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKey IPSAMPAZKNBDFJ-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C20H18N2O4
Exact Mass 350.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3D2mVqGF0za
Name METHYL-5-BENZOYL-4-(4-METHOXYBENZYL)-1H-PYRAZOLE-3-CARBOXYLATE
Compound Number 22C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N2O4
InChI InChI=1S/C20H18N2O4/c1-25-15-10-8-13(9-11-15)12-16-17(21-22-18(16)20(24)26-2)19(23)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKey IPSAMPAZKNBDFJ-UHFFFAOYSA-N
Literature Reference Author J.WARKENTIN,J.M.R.WOOLLARD
Literature Reference Citation CAN.J.CHEM.,75,289(1997)
Literature Reference DOI 10.1139/v97-033
Molecular Weight 350.374 g/mol
Solvent CDCl3
Source File Reference UWCP5816