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(2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(4-ethoxyphenyl)-2-propenamide
SpectraBase Compound ID C3GHsAuHyCV
InChI InChI=1S/C19H14ClF3N2O2/c1-2-27-15-6-3-12(4-7-15)9-13(11-24)18(26)25-17-10-14(19(21,22)23)5-8-16(17)20/h3-10H,2H2,1H3,(H,25,26)/b13-9+
InChIKey UGLGHIFGXUTUNM-UKTHLTGXSA-N
Mol Weight 394.78 g/mol
Molecular Formula C19H14ClF3N2O2
Exact Mass 394.06959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ohsfhoazV
Name (2E)-N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(4-ethoxyphenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 394.069589886 u
Formula C19H14ClF3N2O2
InChI InChI=1S/C19H14ClF3N2O2/c1-2-27-15-6-3-12(4-7-15)9-13(11-24)18(26)25-17-10-14(19(21,22)23)5-8-16(17)20/h3-10H,2H2,1H3,(H,25,26)/b13-9+
InChIKey UGLGHIFGXUTUNM-UKTHLTGXSA-N
Molecular Weight 394.781 g/mol
SMILES N(C(\C(=C\C1=CC=C(C=C1)OCC)C#N)=O)C=1C=C(C(F)(F)F)C=CC1Cl