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3,6-DIMETHYL-6-NITRO-CYCLOHEXA-2,4-DIENONE

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3,6-DIMETHYL-6-NITRO-CYCLOHEXA-2,4-DIENONE
SpectraBase Compound ID 5EffKZJAEO0
InChI InChI=1S/C8H9NO3/c1-6-3-4-8(2,9(11)12)7(10)5-6/h3-5H,1-2H3
InChIKey IFVNETJJNIFKPG-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfDsqeYaE3v
Name 3,6-DIMETHYL-6-NITRO-CYCLOHEXA-2,4-DIENONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-6-3-4-8(2,9(11)12)7(10)5-6/h3-5H,1-2H3
InChIKey IFVNETJJNIFKPG-UHFFFAOYSA-N
Literature Reference Author G.G.CROSS,A.FISCHER,G.N.HENDERSON,T.A.SMYTH
Literature Reference Citation CAN.J.CHEM.,62,1446(1984)
Literature Reference DOI 10.1139/v84-244
Molecular Weight 167.164 g/mol
Solvent CDCl3
Source File Reference UWED1291