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2-(4-bromo-3-keto-butyl)-4-nitro-isoindoline-1,3-quinone

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2-(4-bromo-3-keto-butyl)-4-nitro-isoindoline-1,3-quinone
SpectraBase Compound ID CGhOsqsZ0HR
InChI InChI=1S/C12H9BrN2O5/c13-6-7(16)4-5-14-11(17)8-2-1-3-9(15(19)20)10(8)12(14)18/h1-3H,4-6H2
InChIKey JBPKGKKEBSETMB-UHFFFAOYSA-N
Mol Weight 341.12 g/mol
Molecular Formula C12H9BrN2O5
Exact Mass 339.969484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PcFbStjXBy
Name 2-(4-bromo-3-keto-butyl)-4-nitro-isoindoline-1,3-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9BrN2O5
InChI InChI=1S/C12H9BrN2O5/c13-6-7(16)4-5-14-11(17)8-2-1-3-9(15(19)20)10(8)12(14)18/h1-3H,4-6H2
InChIKey JBPKGKKEBSETMB-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 341.118 g/mol
Source File Reference MHKO5359