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(E)-6,6-Dimethyl-4,5-dioxo-hept-2-ene-nitrile
SpectraBase Compound ID 6gLj02WZOhd
InChI InChI=1S/C9H11NO2/c1-9(2,3)8(12)7(11)5-4-6-10/h4-5H,1-3H3/b5-4+
InChIKey DVKJFFGCSXMJJL-SNAWJCMRSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID OgX6hHGvum
Name (E)-6,6-DIMETHYL-4,5-DIOXO-HEPT-2-ENE-NITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO2
InChI InChI=1S/C9H11NO2/c1-9(2,3)8(12)7(11)5-4-6-10/h4-5H,1-3H3/b5-4+
InChIKey DVKJFFGCSXMJJL-SNAWJCMRSA-N
Literature Reference Author B.J.BARNES,P.J.NEWCOMBE,R.K.NORRIS
Literature Reference Citation AUSTR.J.CHEM.,36,963(1983)
Literature Reference DOI 10.1071/CH9830963
Molecular Weight 165.192 g/mol
Solvent CDCl3
Source File Reference UNIW22441