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DIMETHYL-1-BENZYL-5-(4-TRIFLUOROMETHYLBENZYL)-1H-PYRAZOLE-3,4-DICARBOXYLATE
SpectraBase Compound ID 5g0GK1v3sxT
InChI InChI=1S/C22H19F3N2O4/c1-30-20(28)18-17(12-14-8-10-16(11-9-14)22(23,24)25)27(26-19(18)21(29)31-2)13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKey DHVQWUBSFRGURL-UHFFFAOYSA-N
Mol Weight 432.4 g/mol
Molecular Formula C22H19F3N2O4
Exact Mass 432.129692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXZqbUn2bOq
Name DIMETHYL-1-BENZYL-5-(4-TRIFLUOROMETHYLBENZYL)-1H-PYRAZOLE-3,4-DICARBOXYLATE
Compound Number 19I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19F3N2O4
InChI InChI=1S/C22H19F3N2O4/c1-30-20(28)18-17(12-14-8-10-16(11-9-14)22(23,24)25)27(26-19(18)21(29)31-2)13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKey DHVQWUBSFRGURL-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 432.399 g/mol
Solvent CDCl3
Source File Reference UWCP5824