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2,3,6-TRIMETHYL-4-NITRO-CYCLOHEXA-2,4-DIENONE
SpectraBase Compound ID DUH1Fkv1M6d
InChI InChI=1S/C9H11NO3/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4,8H,1-3H3
InChIKey HTEHOYBHKKZBOJ-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IB6xcyzGjfC
Name 2,3,6-TRIMETHYL-4-NITRO-CYCLOHEXA-2,4-DIENONE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-5-4-8(10(12)13)6(2)7(3)9(5)11/h4,8H,1-3H3
InChIKey HTEHOYBHKKZBOJ-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 181.191 g/mol
Solvent CDCl3:CD3CN
Source File Reference UWED1297