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3-(4'-BrOMOPHENYL)-3-OXOPROPANENITRILE
SpectraBase Compound ID ABfEsSamkd7
InChI InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChIKey HSNWUXWZCSDJPL-UHFFFAOYSA-N
Mol Weight 224.06 g/mol
Molecular Formula C9H6BrNO
Exact Mass 222.963277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lr9pXaJ12s
Name 3-(4'-BrOMOPHENYL)-3-OXOPROPANENITRILE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6BrNO
InChI InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChIKey HSNWUXWZCSDJPL-UHFFFAOYSA-N
Literature Reference Author L.JOUBRAN,W.R.JACKSON,E.M.CAMPI,A.J.ROBINSON,B.A.WELLS,P.D.G ODFREY,J.K.CALLAWAY,
Literature Reference Citation AUSTR.J.CHEM.,56,597(2003)
Literature Reference DOI 10.1071/CH03010
Molecular Weight 224.057 g/mol
Solvent CDCl3
Source File Reference UWKP3633