| SpectraBase Compound ID | EtDgdjd0NBr |
|---|---|
| InChI | InChI=1S/C22H18ClFN2O3S/c1-12-7-8-13(2)26(12)17-9-10-30-18(17)11-28-22(27)19-14(3)29-25-21(19)20-15(23)5-4-6-16(20)24/h4-10H,11H2,1-3H3 |
| InChIKey | KLIUZITWTMXPSB-UHFFFAOYSA-N |
| Mol Weight | 444.91 g/mol |
| Molecular Formula | C22H18ClFN2O3S |
| Exact Mass | 444.071069 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXVioZ41DhZ |
|---|---|
| Name | 3-(2-chloro-6-fluorophenyl)-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 | C22H18ClFN2O3S |
| InChI | InChI=1S/C22H18ClFN2O3S/c1-12-7-8-13(2)26(12)17-9-10-30-18(17)11-28-22(27)19-14(3)29-25-21(19)20-15(23)5-4-6-16(20)24/h4-10H,11H2,1-3H3 |
| InChIKey | KLIUZITWTMXPSB-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46588M |
| Solvent | CDCl3 |