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(2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(2-thienyl)-2-propenamide
SpectraBase Compound ID GInhs8BGc6V
InChI InChI=1S/C15H8ClF3N2OS/c16-12-4-3-10(15(17,18)19)7-13(12)21-14(22)9(8-20)6-11-2-1-5-23-11/h1-7H,(H,21,22)/b9-6+
InChIKey BRPFVEQKPQWXTP-RMKNXTFCSA-N
Mol Weight 356.75 g/mol
Molecular Formula C15H8ClF3N2OS
Exact Mass 355.999796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UTKZpYK3Ip
Name (2E)-N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(2-thienyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 355.999796248 u
Formula C15H8ClF3N2OS
InChI InChI=1S/C15H8ClF3N2OS/c16-12-4-3-10(15(17,18)19)7-13(12)21-14(22)9(8-20)6-11-2-1-5-23-11/h1-7H,(H,21,22)/b9-6+
InChIKey BRPFVEQKPQWXTP-RMKNXTFCSA-N
Molecular Weight 356.750 g/mol
SMILES N(C(\C(=C\C=1SC=CC1)C#N)=O)C=1C=C(C(F)(F)F)C=CC1Cl