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(2E)-N-(4-chlorophenyl)-2-cyano-3-(4-fluorophenyl)-2-propenamide
SpectraBase Compound ID H5hw3JVvaQ3
InChI InChI=1S/C16H10ClFN2O/c17-13-3-7-15(8-4-13)20-16(21)12(10-19)9-11-1-5-14(18)6-2-11/h1-9H,(H,20,21)/b12-9+
InChIKey CRGATLCPIVVDBX-FMIVXFBMSA-N
Mol Weight 300.72 g/mol
Molecular Formula C16H10ClFN2O
Exact Mass 300.046569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Cpw7EVPeyZ
Name (2E)-N-(4-Chlorophenyl)-2-cyano-3-(4-fluorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 300.046568812 u
Formula C16H10ClFN2O
InChI InChI=1S/C16H10ClFN2O/c17-13-3-7-15(8-4-13)20-16(21)12(10-19)9-11-1-5-14(18)6-2-11/h1-9H,(H,20,21)/b12-9+
InChIKey CRGATLCPIVVDBX-FMIVXFBMSA-N
Molecular Weight 300.720 g/mol
SMILES N(C(\C(C#N)=C\C1=CC=C(C=C1)F)=O)C=1C=CC(Cl)=CC1