![3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-(methylthio)-1-[(methylthio)methyl]ethyl ester](/api/spectrum/3fPuhjusHfA/structure.png?h=300&w=458 "3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-(methylthio)-1-[(methylthio)methyl]ethyl ester")
| SpectraBase Compound ID | I7P2SHTRZEx |
|---|---|
| InChI | InChI=1S/C16H17Cl2NO3S2/c1-9-13(16(20)21-10(7-23-2)8-24-3)15(19-22-9)14-11(17)5-4-6-12(14)18/h4-6,10H,7-8H2,1-3H3 |
| InChIKey | DWQGMSRQYODDFB-UHFFFAOYSA-N |
| Mol Weight | 406.34 g/mol |
| Molecular Formula | C16H17Cl2NO3S2 |
| Exact Mass | 405.002691 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fPuhjusHfA |
|---|---|
| Name | 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-(methylthio)-1-[(methylthio)methyl]ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17Cl2NO3S2 |
| InChI | InChI=1S/C16H17Cl2NO3S2/c1-9-13(16(20)21-10(7-23-2)8-24-3)15(19-22-9)14-11(17)5-4-6-12(14)18/h4-6,10H,7-8H2,1-3H3 |
| InChIKey | DWQGMSRQYODDFB-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46591M |
| Solvent | CDCl3 |