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3,4-DIBROMO-5-METHYL-1-(2',4',6'-TRINITROPHENYL)-PYRAZOLE
SpectraBase Compound ID FihP32GQ91j
InChI InChI=1S/C10H5Br2N5O6/c1-4-8(11)10(12)13-14(4)9-6(16(20)21)2-5(15(18)19)3-7(9)17(22)23/h2-3H,1H3
InChIKey KDOOIGRKZKTUNZ-UHFFFAOYSA-N
Mol Weight 450.99 g/mol
Molecular Formula C10H5Br2N5O6
Exact Mass 448.860659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yM3qCQ7iDF
Name 3,4-DIBROMO-5-METHYL-1-(2',4',6'-TRINITROPHENYL)-PYRAZOLE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H5Br2N5O6
InChI InChI=1S/C10H5Br2N5O6/c1-4-8(11)10(12)13-14(4)9-6(16(20)21)2-5(15(18)19)3-7(9)17(22)23/h2-3H,1H3
InChIKey KDOOIGRKZKTUNZ-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 450.988 g/mol
Solvent SOLID-STATE
Source File Reference UWLU82558