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2-[(m-Chlorophenyl)thio]-3',4'-dichloronicotinanilide

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

2-[(m-Chlorophenyl)thio]-3',4'-dichloronicotinanilide
SpectraBase Compound ID 85Cb2V0DnGp
InChI InChI=1S/C18H11Cl3N2OS/c19-11-3-1-4-13(9-11)25-18-14(5-2-8-22-18)17(24)23-12-6-7-15(20)16(21)10-12/h1-10H,(H,23,24)
InChIKey IGACZRKGEXAXKN-UHFFFAOYSA-N
Mol Weight 409.72 g/mol
Molecular Formula C18H11Cl3N2OS
Exact Mass 407.965767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DMtTTURPrm
Name 2-[(m-Chlorophenyl)thio]-3',4'-dichloronicotinanilide
Comments Computed using HOSE algorithm
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Exact Mass 407.965767255 u
Formula C18H11Cl3N2OS
InChI InChI=1S/C18H11Cl3N2OS/c19-11-3-1-4-13(9-11)25-18-14(5-2-8-22-18)17(24)23-12-6-7-15(20)16(21)10-12/h1-10H,(H,23,24)
InChIKey IGACZRKGEXAXKN-UHFFFAOYSA-N
Molecular Weight 409.718 g/mol
SMILES N(C(C=1C(=NC=CC1)SC=1C=CC=C(C1)Cl)=O)C=1C=C(C(=CC1)Cl)Cl