| SpectraBase Compound ID | 9lkJrR9b4vZ |
|---|---|
| InChI | InChI=1S/C18H13F3N2O3S/c1-10-14(17(25)26-2)15(11-5-7-12(8-6-11)18(19,20)21)22-23(10)16(24)13-4-3-9-27-13/h3-9H,1-2H3 |
| InChIKey | TVQPYJBXFZLSIX-UHFFFAOYSA-N |
| Mol Weight | 394.37 g/mol |
| Molecular Formula | C18H13F3N2O3S |
| Exact Mass | 394.059898 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtEoBEU2Uyf |
|---|---|
| Name | 5-methyl-1-(2-thenoyl)-3-(alpha,alpha,alpha-trifluoro-p-tolyl)pyrazole-4-carboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H13F3N2O3S |
| InChI | InChI=1S/C18H13F3N2O3S/c1-10-14(17(25)26-2)15(11-5-7-12(8-6-11)18(19,20)21)22-23(10)16(24)13-4-3-9-27-13/h3-9H,1-2H3 |
| InChIKey | TVQPYJBXFZLSIX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56558M |
| Solvent | CDCl3 |