![p-[(4-amino-5-benzoyl-3-cyano-2-thienyl)amino]benzoic acid, ethyl ester](/api/spectrum/C58DoK0rYNZ/structure.png?h=300&w=458 "p-[(4-amino-5-benzoyl-3-cyano-2-thienyl)amino]benzoic acid, ethyl ester")
| SpectraBase Compound ID | 4yzSu6xbzrr |
|---|---|
| InChI | InChI=1S/C21H17N3O3S/c1-2-27-21(26)14-8-10-15(11-9-14)24-20-16(12-22)17(23)19(28-20)18(25)13-6-4-3-5-7-13/h3-11,24H,2,23H2,1H3 |
| InChIKey | SPNVFEHFXXCDQX-UHFFFAOYSA-N |
| Mol Weight | 391.45 g/mol |
| Molecular Formula | C21H17N3O3S |
| Exact Mass | 391.099063 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C58DoK0rYNZ |
|---|---|
| Name | p-[(4-amino-5-benzoyl-3-cyano-2-thienyl)amino]benzoic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H17N3O3S |
| InChI | InChI=1S/C21H17N3O3S/c1-2-27-21(26)14-8-10-15(11-9-14)24-20-16(12-22)17(23)19(28-20)18(25)13-6-4-3-5-7-13/h3-11,24H,2,23H2,1H3 |
| InChIKey | SPNVFEHFXXCDQX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49986M |
| Solvent | DMSO-d6 |