![5-tert-butyl-3-[3-(3,5-dichlorophenyl)ureido]-2-thiophenecarboxylic acid, methyl ester](/api/spectrum/JE1R6nNkEqx/structure.png?h=300&w=458 "5-tert-butyl-3-[3-(3,5-dichlorophenyl)ureido]-2-thiophenecarboxylic acid, methyl ester")
| SpectraBase Compound ID | 9ci7aeUc6oy |
|---|---|
| InChI | InChI=1S/C17H18Cl2N2O3S/c1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-11-6-9(18)5-10(19)7-11/h5-8H,1-4H3,(H2,20,21,23) |
| InChIKey | KMEJIGBCUZAIIH-UHFFFAOYSA-N |
| Mol Weight | 401.31 g/mol |
| Molecular Formula | C17H18Cl2N2O3S |
| Exact Mass | 400.041519 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JE1R6nNkEqx |
|---|---|
| Name | 5-tert-butyl-3-[3-(3,5-dichlorophenyl)ureido]-2-thiophenecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H18Cl2N2O3S |
| InChI | InChI=1S/C17H18Cl2N2O3S/c1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-11-6-9(18)5-10(19)7-11/h5-8H,1-4H3,(H2,20,21,23) |
| InChIKey | KMEJIGBCUZAIIH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 57178M |
| Solvent | CDCl3 |