![3-[(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino]crotonic acid, ethyl ester](/api/spectrum/6TPkNSYQyIi/structure.png?h=300&w=458 "3-[(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino]crotonic acid, ethyl ester")
| SpectraBase Compound ID | 3eBJLTT6L61 |
|---|---|
| InChI | InChI=1S/C17H21N3O3/c1-5-23-15(21)11-12(2)18-16-13(3)19(4)20(17(16)22)14-9-7-6-8-10-14/h6-11,18H,5H2,1-4H3/b12-11+ |
| InChIKey | PNEMLIOLAFZJND-VAWYXSNFSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C17H21N3O3 |
| Exact Mass | 315.158292 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TPkNSYQyIi |
|---|---|
| Name | 3-[(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino]crotonic acid, ethyl ester |
| CAS Registry Number | 107-93-7 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21N3O3 |
| InChI | InChI=1S/C17H21N3O3/c1-5-23-15(21)11-12(2)18-16-13(3)19(4)20(17(16)22)14-9-7-6-8-10-14/h6-11,18H,5H2,1-4H3/b12-11+ |
| InChIKey | PNEMLIOLAFZJND-VAWYXSNFSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49414M |
| Solvent | CDCl3 |