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o-[4-Chloro-2-[(4-chlorophenyl)-carbamoyl]-phenyl]-o,o-diethyl-phosphorothioate
SpectraBase Compound ID Dc5H41XisWi
InChI InChI=1S/C17H18Cl2NO4PS/c1-3-22-25(26,23-4-2)24-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey PWYCHXIZOZUDJA-UHFFFAOYSA-N
Mol Weight 434.27 g/mol
Molecular Formula C17H18Cl2NO4PS
Exact Mass 433.007122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dOKBQPQb5j
Name o-[4-Chloro-2-[(4-chlorophenyl)-carbamoyl]-phenyl]-o,o-diethyl-phosphorothioate
Comments Computed using HOSE algorithm
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Exact Mass 433.007121632 u
Formula C17H18Cl2NO4PS
InChI InChI=1S/C17H18Cl2NO4PS/c1-3-22-25(26,23-4-2)24-16-10-7-13(19)11-15(16)17(21)20-14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey PWYCHXIZOZUDJA-UHFFFAOYSA-N
Molecular Weight 434.274 g/mol
SMILES C1(Cl)=CC(=C(OP(=S)(OCC)OCC)C=C1)C(=O)NC1=CC=C(C=C1)Cl