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2-METHYL-5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-PENTA-2Z,4E-DIENENITRILE

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2-METHYL-5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-PENTA-2Z,4E-DIENENITRILE
SpectraBase Compound ID GIGVbSZ6vcj
InChI InChI=1S/C14H12F3N/c1-10-3-5-12(6-4-10)7-8-13(11(2)9-18)14(15,16)17/h3-8H,1-2H3/b8-7+,13-11+
InChIKey MTDPUTWAUOYWMD-IGOCJVNJSA-N
Mol Weight 251.25 g/mol
Molecular Formula C14H12F3N
Exact Mass 251.092184 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUHWT40R0u6
Name 2-METHYL-5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-PENTA-2Z,4E-DIENENITRILE
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12F3N
InChI InChI=1S/C14H12F3N/c1-10-3-5-12(6-4-10)7-8-13(11(2)9-18)14(15,16)17/h3-8H,1-2H3/b8-7+,13-11+
InChIKey MTDPUTWAUOYWMD-IGOCJVNJSA-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 UWSI8136