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(E)-4,5-Dioxo-hex-2-ene-nitrile
SpectraBase Compound ID c9slN7zPFt
InChI InChI=1S/C6H5NO2/c1-5(8)6(9)3-2-4-7/h2-3H,1H3/b3-2+
InChIKey GWGVSNBPYGCNJE-NSCUHMNNSA-N
Mol Weight 123.11 g/mol
Molecular Formula C6H5NO2
Exact Mass 123.032028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcSEzY5Lt9E
Name (E)-4,5-Dioxo-hex-2-ene-nitrile
CAS Registry Number 87443-84-3
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5NO2
InChI InChI=1S/C6H5NO2/c1-5(8)6(9)3-2-4-7/h2-3H,1H3/b3-2+
InChIKey GWGVSNBPYGCNJE-NSCUHMNNSA-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