![p-{[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester](/api/spectrum/FIBqJIzGcXs/structure.png?h=300&w=458 "p-{[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester")
| SpectraBase Compound ID | 6OPU1A75xUg |
|---|---|
| InChI | InChI=1S/C23H21N3O3S/c1-4-29-23(28)15-6-8-16(9-7-15)26-22-18(12-24)19(25)21(30-22)20(27)17-10-5-13(2)11-14(17)3/h5-11,26H,4,25H2,1-3H3 |
| InChIKey | BBYXPUMZNBJZIU-UHFFFAOYSA-N |
| Mol Weight | 419.5 g/mol |
| Molecular Formula | C23H21N3O3S |
| Exact Mass | 419.130363 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIBqJIzGcXs |
|---|---|
| Name | p-{[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H21N3O3S |
| InChI | InChI=1S/C23H21N3O3S/c1-4-29-23(28)15-6-8-16(9-7-15)26-22-18(12-24)19(25)21(30-22)20(27)17-10-5-13(2)11-14(17)3/h5-11,26H,4,25H2,1-3H3 |
| InChIKey | BBYXPUMZNBJZIU-UHFFFAOYSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 21049M |
| Solvent | Polysol |