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1-(2,4,6-Trinitro-phenyl)-3-bromo-2-pyrazoline

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1-(2,4,6-Trinitro-phenyl)-3-bromo-2-pyrazoline
SpectraBase Compound ID DcKoMpvr8FX
InChI InChI=1S/C9H6BrN5O6/c10-8-1-2-12(11-8)9-6(14(18)19)3-5(13(16)17)4-7(9)15(20)21/h3-4H,1-2H2
InChIKey LUOQJYUXOURJLE-UHFFFAOYSA-N
Mol Weight 360.08 g/mol
Molecular Formula C9H6BrN5O6
Exact Mass 358.950146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVris1r54Gu
Name 1-(2,4,6-Trinitro-phenyl)-3-bromo-2-pyrazoline
CAS Registry Number 6041-95-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H6BrN5O6
InChI InChI=1S/C9H6BrN5O6/c10-8-1-2-12(11-8)9-6(14(18)19)3-5(13(16)17)4-7(9)15(20)21/h3-4H,1-2H2
InChIKey LUOQJYUXOURJLE-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference R. Faure, J. Llinares, E.J. Vincent, Org. Magn. Resonance 12, 579 (1979).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6