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1-{4-acetyl-2-[3-(2,5-dichlorophenyl)-2-thioureido]phenyl}isonipecotic acid, ethyl ester
SpectraBase Compound ID 6t3GSGlA9y5
InChI InChI=1S/C23H25Cl2N3O3S/c1-3-31-22(30)15-8-10-28(11-9-15)21-7-4-16(14(2)29)12-20(21)27-23(32)26-19-13-17(24)5-6-18(19)25/h4-7,12-13,15H,3,8-11H2,1-2H3,(H2,26,27,32)
InChIKey IAUJFYDTBNIHTE-UHFFFAOYSA-N
Mol Weight 494.44 g/mol
Molecular Formula C23H25Cl2N3O3S
Exact Mass 493.099368 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SZjjWln00C
Name 1-{4-acetyl-2-[3-(2,5-dichlorophenyl)-2-thioureido]phenyl}isonipecotic acid, ethyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25Cl2N3O3S
InChI InChI=1S/C23H25Cl2N3O3S/c1-3-31-22(30)15-8-10-28(11-9-15)21-7-4-16(14(2)29)12-20(21)27-23(32)26-19-13-17(24)5-6-18(19)25/h4-7,12-13,15H,3,8-11H2,1-2H3,(H2,26,27,32)
InChIKey IAUJFYDTBNIHTE-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 30863M
Solvent CDCl3