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{m-CHLORO-alpha-[3-(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-2-THIOUREIDO]BENZYL}PHOSPHONIC ACID, DIPHENYL ESTER
SpectraBase Compound ID 4qo5yn9jJaZ
InChI InChI=1S/C27H20Cl2F3N2O3PS/c28-20-9-7-8-18(16-20)25(34-26(39)33-24-17-19(27(30,31)32)14-15-23(24)29)38(35,36-21-10-3-1-4-11-21)37-22-12-5-2-6-13-22/h1-17,25H,(H2,33,34,39)
InChIKey YBRFOKITFYDAGC-UHFFFAOYSA-N
Mol Weight 611.4 g/mol
Molecular Formula C27H20Cl2F3N2O3PS
Exact Mass 610.026141 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YN2y4hc79x
Name (m-chloro-alpha-[3-(6-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-2-thioureido]benzyl}phosphonic acid, diphenyl ester
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Formula C27H20Cl2F3N2O3PS
InChI InChI=1S/C27H20Cl2F3N2O3PS/c28-20-9-7-8-18(16-20)25(34-26(39)33-24-17-19(27(30,31)32)14-15-23(24)29)38(35,36-21-10-3-1-4-11-21)37-22-12-5-2-6-13-22/h1-17,25H,(H2,33,34,39)
InChIKey YBRFOKITFYDAGC-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46756M
Solvent DMSO-d6