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(2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(4-fluorophenyl)-2-propenamide
SpectraBase Compound ID 1CwXrihQeKc
InChI InChI=1S/C17H9ClF4N2O/c18-14-6-3-12(17(20,21)22)8-15(14)24-16(25)11(9-23)7-10-1-4-13(19)5-2-10/h1-8H,(H,24,25)/b11-7+
InChIKey SYARAUNZQVLPSD-YRNVUSSQSA-N
Mol Weight 368.72 g/mol
Molecular Formula C17H9ClF4N2O
Exact Mass 368.033953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TWl4zjlPMM
Name (2E)-N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(4-fluorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 368.033953269 u
Formula C17H9ClF4N2O
InChI InChI=1S/C17H9ClF4N2O/c18-14-6-3-12(17(20,21)22)8-15(14)24-16(25)11(9-23)7-10-1-4-13(19)5-2-10/h1-8H,(H,24,25)/b11-7+
InChIKey SYARAUNZQVLPSD-YRNVUSSQSA-N
Molecular Weight 368.719 g/mol
SMILES N(C(\C(=C\C=1C=CC(=CC1)F)C#N)=O)C=1C=C(C(F)(F)F)C=CC1Cl