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DIMETHYL-1-BENZYL-5-(4-BROMOBENZYL)-1H-PYRAZOLE-3,4-DICARBOXYLATE
SpectraBase Compound ID 2QvllyG4lvd
InChI InChI=1S/C21H19BrN2O4/c1-27-20(25)18-17(12-14-8-10-16(22)11-9-14)24(23-19(18)21(26)28-2)13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKey HHGBTKJUNSRCBO-UHFFFAOYSA-N
Mol Weight 443.3 g/mol
Molecular Formula C21H19BrN2O4
Exact Mass 442.05282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2oBu6s6ecZ
Name DIMETHYL-1-BENZYL-5-(4-BROMOBENZYL)-1H-PYRAZOLE-3,4-DICARBOXYLATE
Compound Number 19G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrN2O4
InChI InChI=1S/C21H19BrN2O4/c1-27-20(25)18-17(12-14-8-10-16(22)11-9-14)24(23-19(18)21(26)28-2)13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKey HHGBTKJUNSRCBO-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 443.297 g/mol
Solvent CDCl3
Source File Reference UWCP5820