![4-{1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-5-yl}-5-methyl-3-isoxazolecarboxylic acid, methyl ester](/api/spectrum/COX9ph9ThZd/structure.png?h=300&w=458 "4-{1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-5-yl}-5-methyl-3-isoxazolecarboxylic acid, methyl ester")
| SpectraBase Compound ID | 1PA99y4VOtr |
|---|---|
| InChI | InChI=1S/C18H11F6N3O4/c1-8-13(14(26-31-8)16(29)30-2)12-3-4-25-27(12)15(28)9-5-10(17(19,20)21)7-11(6-9)18(22,23)24/h3-7H,1-2H3 |
| InChIKey | YFAZPODWEJXZJI-UHFFFAOYSA-N |
| Mol Weight | 447.29 g/mol |
| Molecular Formula | C18H11F6N3O4 |
| Exact Mass | 447.065375 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | COX9ph9ThZd |
|---|---|
| Name | 4-{1-[3,5-bis(trifluoromethyl)benzoyl]pyrazol-5-yl}-5-methyl-3-isoxazolecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H11F6N3O4 |
| InChI | InChI=1S/C18H11F6N3O4/c1-8-13(14(26-31-8)16(29)30-2)12-3-4-25-27(12)15(28)9-5-10(17(19,20)21)7-11(6-9)18(22,23)24/h3-7H,1-2H3 |
| InChIKey | YFAZPODWEJXZJI-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61145M |
| Solvent | CDCl3 |