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(E)-6-Methyl-4,5-dioxo-hept-2-ene-nitrile
SpectraBase Compound ID 1nJAu6yP8tR
InChI InChI=1S/C8H9NO2/c1-6(2)8(11)7(10)4-3-5-9/h3-4,6H,1-2H3/b4-3+
InChIKey VPCDGSRQFYLZRD-ONEGZZNKSA-N
Mol Weight 151.16 g/mol
Molecular Formula C8H9NO2
Exact Mass 151.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfuXqQVP7bN
Name (E)-6-Methyl-4,5-dioxo-hept-2-ene-nitrile
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9NO2
InChI InChI=1S/C8H9NO2/c1-6(2)8(11)7(10)4-3-5-9/h3-4,6H,1-2H3/b4-3+
InChIKey VPCDGSRQFYLZRD-ONEGZZNKSA-N
Instrument Name SF = 060 MHz
Literature Reference Austr. J. Chem. 36, 963 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3