![1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-3-[m-(methylthio)phenyl]-2-thiourea](/api/spectrum/HHXvCksakA1/structure.png?h=300&w=458 "1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-3-[m-(methylthio)phenyl]-2-thiourea")
| SpectraBase Compound ID | 8pwqdjF4dsb |
|---|---|
| InChI | InChI=1S/C19H16ClN3O2S2/c1-11-16(17(23-25-11)14-8-3-4-9-15(14)20)18(24)22-19(26)21-12-6-5-7-13(10-12)27-2/h3-10H,1-2H3,(H2,21,22,24,26) |
| InChIKey | DFDSQTWKXXFTKL-UHFFFAOYSA-N |
| Mol Weight | 417.93 g/mol |
| Molecular Formula | C19H16ClN3O2S2 |
| Exact Mass | 417.037247 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHXvCksakA1 |
|---|---|
| Name | 1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-3-[m-(methylthio)phenyl]-2-thiourea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H16ClN3O2S2 |
| InChI | InChI=1S/C19H16ClN3O2S2/c1-11-16(17(23-25-11)14-8-3-4-9-15(14)20)18(24)22-19(26)21-12-6-5-7-13(10-12)27-2/h3-10H,1-2H3,(H2,21,22,24,26) |
| InChIKey | DFDSQTWKXXFTKL-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 24372M |
| Solvent | CDCl3 |