![p-{[4-amino-3-cyano-5-(p-phenylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester](/api/spectrum/FKRqxY1ldmI/structure.png?h=300&w=458 "p-{[4-amino-3-cyano-5-(p-phenylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester")
| SpectraBase Compound ID | 8uxqa2nDFtZ |
|---|---|
| InChI | InChI=1S/C27H21N3O3S/c1-2-33-27(32)20-12-14-21(15-13-20)30-26-22(16-28)23(29)25(34-26)24(31)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,30H,2,29H2,1H3 |
| InChIKey | LKDZHYRMDKOYID-UHFFFAOYSA-N |
| Mol Weight | 467.54 g/mol |
| Molecular Formula | C27H21N3O3S |
| Exact Mass | 467.130363 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FKRqxY1ldmI |
|---|---|
| Name | p-{[4-amino-3-cyano-5-(p-phenylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H21N3O3S |
| InChI | InChI=1S/C27H21N3O3S/c1-2-33-27(32)20-12-14-21(15-13-20)30-26-22(16-28)23(29)25(34-26)24(31)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,30H,2,29H2,1H3 |
| InChIKey | LKDZHYRMDKOYID-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49989M |
| Solvent | DMSO-d6 |