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{alpha-[3-(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-2-THIOUREIDO]-2,4-DICHLOROBENZYL}PHOSPHONIC ACID, DIPHENYL ESTER

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{alpha-[3-(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-2-THIOUREIDO]-2,4-DICHLOROBENZYL}PHOSPHONIC ACID, DIPHENYL ESTER
SpectraBase Compound ID 8LjvryhaEt1
InChI InChI=1S/C27H19Cl3F3N2O3PS/c28-18-12-13-21(23(30)16-18)25(35-26(40)34-24-15-17(27(31,32)33)11-14-22(24)29)39(36,37-19-7-3-1-4-8-19)38-20-9-5-2-6-10-20/h1-16,25H,(H2,34,35,40)
InChIKey XPLWGTFXLWAOFM-UHFFFAOYSA-N
Mol Weight 645.85 g/mol
Molecular Formula C27H19Cl3F3N2O3PS
Exact Mass 643.987168 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mIfMYjTbWk
Name {alpha-[3-(6-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-2-thioureido]-2,4-dichlorobenzyl}phosphonic acid, diphenyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19Cl3F3N2O3PS
InChI InChI=1S/C27H19Cl3F3N2O3PS/c28-18-12-13-21(23(30)16-18)25(35-26(40)34-24-15-17(27(31,32)33)11-14-22(24)29)39(36,37-19-7-3-1-4-8-19)38-20-9-5-2-6-10-20/h1-16,25H,(H2,34,35,40)
InChIKey XPLWGTFXLWAOFM-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46755M
Solvent DMSO-d6