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(2E)-2-cyano-N-(2-furylmethyl)-3-[4-(trifluoromethyl)phenyl]-2-propenamide
SpectraBase Compound ID H9bYaVrmDew
InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)13-5-3-11(4-6-13)8-12(9-20)15(22)21-10-14-2-1-7-23-14/h1-8H,10H2,(H,21,22)/b12-8+
InChIKey UFPHGHYHEFZMFM-XYOKQWHBSA-N
Mol Weight 320.27 g/mol
Molecular Formula C16H11F3N2O2
Exact Mass 320.077262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9m5gUWCZZZ2
Name (2E)-2-Cyano-N-(2-furylmethyl)-3-[4-(trifluoromethyl)phenyl]-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 320.077262089 u
Formula C16H11F3N2O2
InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)13-5-3-11(4-6-13)8-12(9-20)15(22)21-10-14-2-1-7-23-14/h1-8H,10H2,(H,21,22)/b12-8+
InChIKey UFPHGHYHEFZMFM-XYOKQWHBSA-N
Molecular Weight 320.271 g/mol
SMILES N(C(\C(=C\C1=CC=C(C(F)(F)F)C=C1)C#N)=O)CC=1OC=CC1