![3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbothioic acid, S-[(p-fluoroanilino)methyl]ester](/api/spectrum/BAN4QLAG2Y5/structure.png?h=300&w=458 "3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbothioic acid, S-[(p-fluoroanilino)methyl]ester")
| SpectraBase Compound ID | FMSzTDjrAKQ |
|---|---|
| InChI | InChI=1S/C18H13Cl2FN2O2S/c1-10-15(17(23-25-10)16-13(19)3-2-4-14(16)20)18(24)26-9-22-12-7-5-11(21)6-8-12/h2-8,22H,9H2,1H3 |
| InChIKey | CDRNMQGQGYCAJI-UHFFFAOYSA-N |
| Mol Weight | 411.28 g/mol |
| Molecular Formula | C18H13Cl2FN2O2S |
| Exact Mass | 410.005882 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAN4QLAG2Y5 |
|---|---|
| Name | 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbothioic acid, S-[(p-fluoroanilino)methyl]ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H13Cl2FN2O2S |
| InChI | InChI=1S/C18H13Cl2FN2O2S/c1-10-15(17(23-25-10)16-13(19)3-2-4-14(16)20)18(24)26-9-22-12-7-5-11(21)6-8-12/h2-8,22H,9H2,1H3 |
| InChIKey | CDRNMQGQGYCAJI-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 30940M |
| Solvent | CDCl3 |