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DIMETHYL-3-BENZYL-1-(4-METHOXYBENZYL)-1H-PYRAZOLE-4,5-DICARBOXYLATE
SpectraBase Compound ID JbJr6zSLlkX
InChI InChI=1S/C22H22N2O5/c1-27-17-11-9-16(10-12-17)14-24-20(22(26)29-3)19(21(25)28-2)18(23-24)13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKey XXZYKQKYDZGLSY-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jglFO4U84i
Name DIMETHYL-3-BENZYL-1-(4-METHOXYBENZYL)-1H-PYRAZOLE-4,5-DICARBOXYLATE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-27-17-11-9-16(10-12-17)14-24-20(22(26)29-3)19(21(25)28-2)18(23-24)13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKey XXZYKQKYDZGLSY-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 394.427 g/mol
Solvent CDCl3
Source File Reference UWCP5815