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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 5sIMBORfGbf
Name (E)-6,6-Dimethyl-4,5-dioxo-hept-2-ene-nitrile
CAS Registry Number 77987-18-9
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
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