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N-[4-cyano-3-(p-cyanophenyl)-5-(2-thienyl)-2-furyl]-2,2-dichloroacetamide
SpectraBase Compound ID DnCAyU2imnB
InChI InChI=1S/C18H9Cl2N3O2S/c19-16(20)17(24)23-18-14(11-5-3-10(8-21)4-6-11)12(9-22)15(25-18)13-2-1-7-26-13/h1-7,16H,(H,23,24)
InChIKey DOKGSADOAMYVEC-UHFFFAOYSA-N
Mol Weight 402.26 g/mol
Molecular Formula C18H9Cl2N3O2S
Exact Mass 400.979253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrFc9XRLJZr
Name N-[4-Cyano-3-(p-cyanophenyl)-5-(2-thienyl)-2-furyl]-2,2-dichloroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 400.979253114 u
Formula C18H9Cl2N3O2S
InChI InChI=1S/C18H9Cl2N3O2S/c19-16(20)17(24)23-18-14(11-5-3-10(8-21)4-6-11)12(9-22)15(25-18)13-2-1-7-26-13/h1-7,16H,(H,23,24)
InChIKey DOKGSADOAMYVEC-UHFFFAOYSA-N
Molecular Weight 402.255 g/mol
SMILES N(C=1OC(=C(C1C1=CC=C(C=C1)C#N)C#N)C1=CC=CS1)C(C(Cl)Cl)=O