| SpectraBase Compound ID | HmkonEdIS5L |
|---|---|
| InChI | InChI=1S/C21H16Cl2N2O3S/c1-12-6-7-13(2)25(12)17-8-9-29-18(17)11-27-21(26)14-10-28-24-20(14)19-15(22)4-3-5-16(19)23/h3-10H,11H2,1-2H3 |
| InChIKey | WIQSEYUJLVIZMF-UHFFFAOYSA-N |
| Mol Weight | 447.34 g/mol |
| Molecular Formula | C21H16Cl2N2O3S |
| Exact Mass | 446.025869 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kaAwbJrOX2 |
|---|---|
| Name | 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 3-(2,5-dimethylpyrrol-1-yl)-2-thenyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16Cl2N2O3S |
| InChI | InChI=1S/C21H16Cl2N2O3S/c1-12-6-7-13(2)25(12)17-8-9-29-18(17)11-27-21(26)14-10-28-24-20(14)19-15(22)4-3-5-16(19)23/h3-10H,11H2,1-2H3 |
| InChIKey | WIQSEYUJLVIZMF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46589M |
| Solvent | CDCl3 |