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(E/Z)-2-(2-BROMOPHENYL)-3-OXOPROPAN-1-NITRILE;ENOL-FORM
SpectraBase Compound ID FtiyVXSWdl6
InChI InChI=1S/2C9H6BrNO/c2*10-9-4-2-1-3-8(9)7(5-11)6-12/h2*1-4,6,12H/b7-6+;7-6-
InChIKey MNENYDQCVMQWIF-WNGLLYAYSA-N
Mol Weight 448.11 g/mol
Molecular Formula C18H12Br2N2O2
Exact Mass 445.926554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpMysuoa4ze
Name (E/Z)-2-(2-BROMOPHENYL)-3-OXOPROPAN-1-NITRILE;ENOL-FORM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12Br2N2O2
InChI InChI=1S/2C9H6BrNO/c2*10-9-4-2-1-3-8(9)7(5-11)6-12/h2*1-4,6,12H/b7-6+;7-6-
InChIKey MNENYDQCVMQWIF-WNGLLYAYSA-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 448.113 g/mol
Solvent DMSO-D6
Source File Reference UWCS5194