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2,3,5-TRIBROMO-4-ETHYL-4,6-DINITROCYCLOHEXA-2,5-DIENONE
SpectraBase Compound ID 50XHYWaOjb8
InChI InChI=1S/C8H5Br3N2O5/c1-2-8(13(17)18)6(10)3(9)5(14)4(7(8)11)12(15)16/h2H2,1H3
InChIKey HGOVUSJPQRNTLL-UHFFFAOYSA-N
Mol Weight 448.85 g/mol
Molecular Formula C8H5Br3N2O5
Exact Mass 445.77486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeApccmsVfn
Name 2,3,5-TRIBROMO-4-ETHYL-4,6-DINITROCYCLOHEXA-2,5-DIENONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H5Br3N2O5
InChI InChI=1S/C8H5Br3N2O5/c1-2-8(13(17)18)6(10)3(9)5(14)4(7(8)11)12(15)16/h2H2,1H3
InChIKey HGOVUSJPQRNTLL-UHFFFAOYSA-N
Literature Reference Author M.J.GRAY,M.P.HARTSHORN,J.VAUGHAN
Literature Reference Citation AUSTR.J.CHEM.,39,59(1986)
Literature Reference DOI 10.1071/CH9860059
Molecular Weight 448.850 g/mol
Solvent ACETONE-D6
Source File Reference UWWR1578