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(E)-3-amino-4-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)pent-4-enenitrile
SpectraBase Compound ID KfqkUhi60VZ
InChI InChI=1S/C14H15F3N2/c1-10-3-5-12(6-4-10)9-11(2)13(19,7-8-18)14(15,16)17/h3-6,9H,7,19H2,1-2H3/b11-9+
InChIKey HGKFMZAWHYTICR-PKNBQFBNSA-N
Mol Weight 268.28 g/mol
Molecular Formula C14H15F3N2
Exact Mass 268.118733 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeJvaQ1OaFI
Name (E)-3-amino-4-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)pent-4-enenitrile
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15F3N2
InChI InChI=1S/C14H15F3N2/c1-10-3-5-12(6-4-10)9-11(2)13(19,7-8-18)14(15,16)17/h3-6,9H,7,19H2,1-2H3/b11-9+
InChIKey HGKFMZAWHYTICR-PKNBQFBNSA-N
Literature Reference Author F.PALACIOS,S.PASCUAL,J.OYARZABAL,A.M.O.D.RETANA
Literature Reference Citation ORG.LETTERS,4,769(2002)
Literature Reference DOI 10.1021/ol017254p
Solvent CD3OD
Source File Reference UWMZ25471