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3-OXO-3-(4'-TRIFLUOROMETHOXYPHENYL)-PROPANENITRILE
SpectraBase Compound ID BCaHE196hRx
InChI InChI=1S/C10H6F3NO2/c11-10(12,13)16-8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2
InChIKey IYZQGBBCANKWMX-UHFFFAOYSA-N
Mol Weight 229.16 g/mol
Molecular Formula C10H6F3NO2
Exact Mass 229.035063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ykMkd0Iyjo
Name 3-OXO-3-(4'-TRIFLUOROMETHOXYPHENYL)-PROPANENITRILE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6F3NO2
InChI InChI=1S/C10H6F3NO2/c11-10(12,13)16-8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2
InChIKey IYZQGBBCANKWMX-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 229.158 g/mol
Solvent CDCl3
Source File Reference UWKP3635