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(E)-4,5-Dioxo-hex-2-ene-nitrile

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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 EblhzvcL6T8
Name (E)-4,5-DIOXO-HEX-2-ENE-NITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
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 123.111 g/mol
Solvent CDCl3
Source File Reference UNIW22437