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2-METHYL-5-PHENYL-3-(TRIFLUOROMETHYL)-PENTA-2Z,4E-DIENENITRILE
SpectraBase Compound ID JObDKT4OOmI
InChI InChI=1S/C13H10F3N/c1-10(9-17)12(13(14,15)16)8-7-11-5-3-2-4-6-11/h2-8H,1H3/b8-7+,12-10+
InChIKey MHYYZRKWGXOOBG-DCXZXJRMSA-N
Mol Weight 237.23 g/mol
Molecular Formula C13H10F3N
Exact Mass 237.076534 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEJRu0bPvN0
Name 2-METHYL-5-PHENYL-3-(TRIFLUOROMETHYL)-PENTA-2Z,4E-DIENENITRILE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10F3N
InChI InChI=1S/C13H10F3N/c1-10(9-17)12(13(14,15)16)8-7-11-5-3-2-4-6-11/h2-8H,1H3/b8-7+,12-10+
InChIKey MHYYZRKWGXOOBG-DCXZXJRMSA-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 UWSI8130