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DIMETHYL-5-(4-BROMOBENZOYL)-4H-PYRAZOLE-3,4-DICARBOXYLATE
SpectraBase Compound ID CP6kUWlM64m
InChI InChI=1S/C21H17BrN2O5/c1-28-19(26)18-21(20(27)29-2,12-13-6-4-3-5-7-13)17(23-24-18)16(25)14-8-10-15(22)11-9-14/h3-11H,12H2,1-2H3
InChIKey QFURXEKOZOGVBZ-UHFFFAOYSA-N
Mol Weight 457.28 g/mol
Molecular Formula C21H17BrN2O5
Exact Mass 456.032085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzBepl4JMHQ
Name DIMETHYL-5-(4-BROMOBENZOYL)-4H-PYRAZOLE-3,4-DICARBOXYLATE
Compound Number 21D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17BrN2O5
InChI InChI=1S/C21H17BrN2O5/c1-28-19(26)18-21(20(27)29-2,12-13-6-4-3-5-7-13)17(23-24-18)16(25)14-8-10-15(22)11-9-14/h3-11H,12H2,1-2H3
InChIKey QFURXEKOZOGVBZ-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 457.280 g/mol
Solvent CDCl3
Source File Reference UWCP5821