![1-{4-acetyl-2-[3-(2,5-dichlorophenyl)-2-thioureido]phenyl}isonipecotic acid, ethyl ester](/api/spectrum/3SZjjWln00C/structure.png?h=300&w=458 "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
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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 |