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4-BROMO-1-(2',4',6'-TRINITROPHENYL)-PYRAZOLE
SpectraBase Compound ID 24mqr7Vwa5s
InChI InChI=1S/C9H4BrN5O6/c10-5-3-11-12(4-5)9-7(14(18)19)1-6(13(16)17)2-8(9)15(20)21/h1-4H
InChIKey TZVCNFKRWZSZIG-UHFFFAOYSA-N
Mol Weight 358.06 g/mol
Molecular Formula C9H4BrN5O6
Exact Mass 356.934496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BgE4TZ2cc1
Name 4-BROMO-1-(2',4',6'-TRINITROPHENYL)-PYRAZOLE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H4BrN5O6
InChI InChI=1S/C9H4BrN5O6/c10-5-3-11-12(4-5)9-7(14(18)19)1-6(13(16)17)2-8(9)15(20)21/h1-4H
InChIKey TZVCNFKRWZSZIG-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 358.065 g/mol
Solvent SOLID-STATE
Source File Reference UWLU82555