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4-BROMO-3-CHLORO-1-(2',4'-DINITROPHENYL)-5-METHYL-PYRAZOLE
SpectraBase Compound ID B60iKn0nR5k
InChI InChI=1S/C10H6BrClN4O4/c1-5-9(11)10(12)13-14(5)7-3-2-6(15(17)18)4-8(7)16(19)20/h2-4H,1H3
InChIKey OILQJPSUKHINSJ-UHFFFAOYSA-N
Mol Weight 361.54 g/mol
Molecular Formula C10H6BrClN4O4
Exact Mass 359.926095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlRhprM3qNt
Name 4-BROMO-3-CHLORO-1-(2',4'-DINITROPHENYL)-5-METHYL-PYRAZOLE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6BrClN4O4
InChI InChI=1S/C10H6BrClN4O4/c1-5-9(11)10(12)13-14(5)7-3-2-6(15(17)18)4-8(7)16(19)20/h2-4H,1H3
InChIKey OILQJPSUKHINSJ-UHFFFAOYSA-N
Literature Reference Author M.A.GARCIA,R.M.CLARAMUNT,J.ELGUERO
Literature Reference Citation MAGN.RES.CHEM.,46,697(2008)
Literature Reference DOI 10.1002/mrc.2219
Molecular Weight 361.539 g/mol
Solvent DMSO-D6
Source File Reference UWLU82537