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4-Chloro-4'-(2,6-dicyanophenoxy)benzenesulfonanilide

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

4-Chloro-4'-(2,6-dicyanophenoxy)benzenesulfonanilide
SpectraBase Compound ID 7hkoSiohxHv
InChI InChI=1S/C20H12ClN3O3S/c21-16-4-10-19(11-5-16)28(25,26)24-17-6-8-18(9-7-17)27-20-14(12-22)2-1-3-15(20)13-23/h1-11,24H
InChIKey IFXRNDIGOPKUOT-UHFFFAOYSA-N
Mol Weight 409.85 g/mol
Molecular Formula C20H12ClN3O3S
Exact Mass 409.02879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yHYxt4m9tJ
Name 4-Chloro-4'-(2,6-dicyanophenoxy)benzenesulfonanilide
Comments Computed using HOSE algorithm
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Exact Mass 409.028790129 u
Formula C20H12ClN3O3S
InChI InChI=1S/C20H12ClN3O3S/c21-16-4-10-19(11-5-16)28(25,26)24-17-6-8-18(9-7-17)27-20-14(12-22)2-1-3-15(20)13-23/h1-11,24H
InChIKey IFXRNDIGOPKUOT-UHFFFAOYSA-N
Molecular Weight 409.847 g/mol
SMILES N(S(C1=CC=C(C=C1)Cl)(=O)=O)C=1C=CC(=CC1)OC=1C(=CC=CC1C#N)C#N