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3,5-Dioxo-hexanenitrile enolform
SpectraBase Compound ID 3YXWXtaCTs9
InChI InChI=1S/C6H7NO2/c1-5(8)4-6(9)2-3-7/h4,9H,2H2,1H3/b6-4-
InChIKey ISFQNHWROAZFAX-XQRVVYSFSA-N
Mol Weight 125.13 g/mol
Molecular Formula C6H7NO2
Exact Mass 125.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70eKsc9wGOS
Name 3,5-Dioxo-hexanenitrile enolform
Comments STRUCTURE IS CHANGED TO ENOLFORM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7NO2
InChI InChI=1S/C6H7NO2/c1-5(8)4-6(9)2-3-7/h4,9H,2H2,1H3/b6-4-
InChIKey ISFQNHWROAZFAX-XQRVVYSFSA-N
Instrument Name Jeol FX-90
Literature Reference T.M. Harris, C.M. Harris, T.A.Oster, J. Am. Chem. Soc. 110, 6180 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3