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2-Methyl-5-(4-nitrophenyl)-3-(trifluoromethyl)penta-2Z,4E-dienenitrile
SpectraBase Compound ID CAj5yVsDygz
InChI InChI=1S/C13H9F3N2O2/c1-9(8-17)12(13(14,15)16)7-4-10-2-5-11(6-3-10)18(19)20/h2-7H,1H3/b7-4+,12-9+
InChIKey DDWBAXUXRALGJF-VNVWYSBZSA-N
Mol Weight 282.22 g/mol
Molecular Formula C13H9F3N2O2
Exact Mass 282.061612 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7j2DqL6QvsP
Name 2-METHYL-5-(4-NITROPHENYL)-3-(TRIFLUOROMETHYL)-PENTA-2Z,4E-DIENENITRILE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9F3N2O2
InChI InChI=1S/C13H9F3N2O2/c1-9(8-17)12(13(14,15)16)7-4-10-2-5-11(6-3-10)18(19)20/h2-7H,1H3/b7-4+,12-9+
InChIKey DDWBAXUXRALGJF-VNVWYSBZSA-N
Literature Reference Author Y.SHEN,J.NI,P.LI,J.SUN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,509(1999)
Literature Reference DOI 10.1039/a808147f
Solvent CDCl3
Source File Reference UWSI8134