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2,3,5-TRIBROMO-4-ETHYL-4-HYDROXY-6-NITROCYCLOHEXA-2,5-DIENONE
SpectraBase Compound ID LIcvS5qf9Ne
InChI InChI=1S/C8H6Br3NO4/c1-2-8(14)6(10)3(9)5(13)4(7(8)11)12(15)16/h14H,2H2,1H3
InChIKey NDZMLCTVMNUUJF-UHFFFAOYSA-N
Mol Weight 419.85 g/mol
Molecular Formula C8H6Br3NO4
Exact Mass 416.784697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbuCexiwf1C
Name 2,3,5-TRIBROMO-4-ETHYL-4-HYDROXY-6-NITROCYCLOHEXA-2,5-DIENONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6Br3NO4
InChI InChI=1S/C8H6Br3NO4/c1-2-8(14)6(10)3(9)5(13)4(7(8)11)12(15)16/h14H,2H2,1H3
InChIKey NDZMLCTVMNUUJF-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 419.852 g/mol
Solvent ACETONE-D6
Source File Reference UWWR1579