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p-(2,6-Dicyanophenoxy)benzenesulfonic acid, p-chlorophenyl ester
SpectraBase Compound ID BSJLwccBXpj
InChI InChI=1S/C20H11ClN2O4S/c21-16-4-6-18(7-5-16)27-28(24,25)19-10-8-17(9-11-19)26-20-14(12-22)2-1-3-15(20)13-23/h1-11H
InChIKey QUXIENHVDUTBGI-UHFFFAOYSA-N
Mol Weight 410.83 g/mol
Molecular Formula C20H11ClN2O4S
Exact Mass 410.012806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IbWqm9I18s
Name p-(2,6-Dicyanophenoxy)benzenesulfonic acid, p-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.012805712 u
Formula C20H11ClN2O4S
InChI InChI=1S/C20H11ClN2O4S/c21-16-4-6-18(7-5-16)27-28(24,25)19-10-8-17(9-11-19)26-20-14(12-22)2-1-3-15(20)13-23/h1-11H
InChIKey QUXIENHVDUTBGI-UHFFFAOYSA-N
Molecular Weight 410.831 g/mol
SMILES C1=C(C(=C(C=C1)C#N)OC=1C=CC(=CC1)S(=O)(=O)OC=1C=CC(=CC1)Cl)C#N