![5-METHYL-4-{1-[(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)SULFONYL]PYRAZOL-5-YL}-3-ISOXAZOLECARBOXYLIC ACID, METHYL ESTER](/api/spectrum/GTfKbqQD2Y1/structure.png?h=300&w=458 "5-METHYL-4-{1-[(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)SULFONYL]PYRAZOL-5-YL}-3-ISOXAZOLECARBOXYLIC ACID, METHYL ESTER")
| SpectraBase Compound ID | 92Kz3ocBz8n |
|---|---|
| InChI | InChI=1S/C16H12F3N3O5S/c1-9-13(14(21-27-9)15(23)26-2)12-6-7-20-22(12)28(24,25)11-5-3-4-10(8-11)16(17,18)19/h3-8H,1-2H3 |
| InChIKey | NHDXJEKLQDYPTA-UHFFFAOYSA-N |
| Mol Weight | 415.34 g/mol |
| Molecular Formula | C16H12F3N3O5S |
| Exact Mass | 415.044976 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTfKbqQD2Y1 |
|---|---|
| Name | 5-methyl-4-{1-[(alpha,alpha,alpha-trifluoro-m-tolyl)sulfonyl]pyrazol-5-yl}-3-isoxazolecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12F3N3O5S |
| InChI | InChI=1S/C16H12F3N3O5S/c1-9-13(14(21-27-9)15(23)26-2)12-6-7-20-22(12)28(24,25)11-5-3-4-10(8-11)16(17,18)19/h3-8H,1-2H3 |
| InChIKey | NHDXJEKLQDYPTA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 61277M |
| Solvent | CDCl3 |