![p-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}benzoic acid, methyl ester](/api/spectrum/7ByQwYrbb2m/structure.png?h=300&w=458 "p-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}benzoic acid, methyl ester")
| SpectraBase Compound ID | CPGGf3wHKrr |
|---|---|
| InChI | InChI=1S/C13H10F3N3O3/c1-22-12(21)7-2-4-8(5-3-7)17-6-9-10(13(14,15)16)18-19-11(9)20/h2-6,17H,1H3,(H,19,20) |
| InChIKey | AUHGGGXNTZLCMH-UHFFFAOYSA-N |
| Mol Weight | 313.24 g/mol |
| Molecular Formula | C13H10F3N3O3 |
| Exact Mass | 313.067426 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ByQwYrbb2m |
|---|---|
| Name | p-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}benzoic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10F3N3O3 |
| InChI | InChI=1S/C13H10F3N3O3/c1-22-12(21)7-2-4-8(5-3-7)17-6-9-10(13(14,15)16)18-19-11(9)20/h2-6,17H,1H3,(H,19,20) |
| InChIKey | AUHGGGXNTZLCMH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 57749M |
| Solvent | DMSO-d6 |