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o-[5-Chloro-2-[(3,4-dichlorophenyl)-carbamoyl]-phenyl]-o,o-diethyl-phosphorothioate
SpectraBase Compound ID 36bxyAVu9T
InChI InChI=1S/C17H17Cl3NO4PS/c1-3-23-26(27,24-4-2)25-16-9-11(18)5-7-13(16)17(22)21-12-6-8-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
InChIKey JDFVTXWEDKHCQT-UHFFFAOYSA-N
Mol Weight 468.72 g/mol
Molecular Formula C17H17Cl3NO4PS
Exact Mass 466.968149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XYJyVj1AQQ
Name o-[5-Chloro-2-[(3,4-dichlorophenyl)-carbamoyl]-phenyl]-o,o-diethyl-phosphorothioate
Comments Computed using HOSE algorithm
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Exact Mass 466.968149299 u
Formula C17H17Cl3NO4PS
InChI InChI=1S/C17H17Cl3NO4PS/c1-3-23-26(27,24-4-2)25-16-9-11(18)5-7-13(16)17(22)21-12-6-8-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
InChIKey JDFVTXWEDKHCQT-UHFFFAOYSA-N
Molecular Weight 468.719 g/mol
SMILES C=1(Cl)C=CC(=C(OP(=S)(OCC)OCC)C1)C(=O)NC1=CC(=C(C=C1)Cl)Cl