![3-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}-2-thiophenecarboxylic acid, methyl ester](/api/spectrum/5ZxsoceICGJ/structure.png?h=300&w=458 "3-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}-2-thiophenecarboxylic acid, methyl ester")
| SpectraBase Compound ID | A2Vd3wytmtD |
|---|---|
| InChI | InChI=1S/C11H8F3N3O3S/c1-20-10(19)7-6(2-3-21-7)15-4-5-8(11(12,13)14)16-17-9(5)18/h2-4,15H,1H3,(H,17,18) |
| InChIKey | XNGLNPXDSRXINB-UHFFFAOYSA-N |
| Mol Weight | 319.26 g/mol |
| Molecular Formula | C11H8F3N3O3S |
| Exact Mass | 319.023847 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZxsoceICGJ |
|---|---|
| Name | 3-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}-2-thiophenecarboxylic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H8F3N3O3S |
| InChI | InChI=1S/C11H8F3N3O3S/c1-20-10(19)7-6(2-3-21-7)15-4-5-8(11(12,13)14)16-17-9(5)18/h2-4,15H,1H3,(H,17,18) |
| InChIKey | XNGLNPXDSRXINB-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 57750M |
| Solvent | DMSO-d6 |