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(E/Z)-2-(4-METHOXYPHENYL)-3-OXOPROPAN-1-NITRILE;ENOL-FORM
SpectraBase Compound ID A3SeSIc8omn
InChI InChI=1S/2C10H9NO2/c2*1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2*2-5,7,12H,1H3/b9-7+;9-7-
InChIKey JYCVZCAKICRCPQ-ZKNQGMMFSA-N
Mol Weight 350.37 g/mol
Molecular Formula C20H18N2O4
Exact Mass 350.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWs5aZavYXl
Name (E/Z)-2-(4-METHOXYPHENYL)-3-OXOPROPAN-1-NITRILE;ENOL-FORM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N2O4
InChI InChI=1S/2C10H9NO2/c2*1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2*2-5,7,12H,1H3/b9-7+;9-7-
InChIKey JYCVZCAKICRCPQ-ZKNQGMMFSA-N
Literature Reference Author G.KIRSCH,J.L.MIELOSZYNSKI,D.PAQUER,C.G.ANDRIEU
Literature Reference Citation REC.TR.CH.P.-B.,102,489(1983)
Literature Reference DOI 10.1002/recl.19831021106
Molecular Weight 350.374 g/mol
Solvent DMSO-D6
Source File Reference UWCS5195