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3,4,5-TRIBROMO-2,6-DIMETHYL-4-NITRO-CYCLOHEXA-2,5-DIEN-ONE
SpectraBase Compound ID 1PpoyV7S62f
InChI InChI=1S/C8H6Br3NO3/c1-3-5(13)4(2)7(10)8(11,6(3)9)12(14)15/h1-2H3
InChIKey XKUPTIMDKJYSCH-UHFFFAOYSA-N
Mol Weight 403.85 g/mol
Molecular Formula C8H6Br3NO3
Exact Mass 400.789782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L383Q52c1yB
Name 3,4,5-TRIBROMO-2,6-DIMETHYL-4-NITRO-CYCLOHEXA-2,5-DIEN-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6Br3NO3
InChI InChI=1S/C8H6Br3NO3/c1-3-5(13)4(2)7(10)8(11,6(3)9)12(14)15/h1-2H3
InChIKey XKUPTIMDKJYSCH-UHFFFAOYSA-N
Literature Reference Author M.P.HARTSHORN,R.J.MARTYN,J.VAUGHAN,G.J.WRIGHT
Literature Reference Citation AUSTR.J.CHEM.,36,839(1983)
Literature Reference DOI 10.1071/ch9830839
Molecular Weight 403.853 g/mol
Solvent ACETONE-D6
Source File Reference UWWR430