![p-{[4-amino-5-(p-bromobenzoyl)-3-cyano-2-thienyl]amino}benzoic acid, ethyl ester](/api/spectrum/FR31FXrPihO/structure.png?h=300&w=458 "p-{[4-amino-5-(p-bromobenzoyl)-3-cyano-2-thienyl]amino}benzoic acid, ethyl ester")
| SpectraBase Compound ID | HPnuw3Kgipb |
|---|---|
| InChI | InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)13-5-9-15(10-6-13)25-20-16(11-23)17(24)19(29-20)18(26)12-3-7-14(22)8-4-12/h3-10,25H,2,24H2,1H3 |
| InChIKey | HKWFRRXKDSRFBN-UHFFFAOYSA-N |
| Mol Weight | 470.34 g/mol |
| Molecular Formula | C21H16BrN3O3S |
| Exact Mass | 469.009576 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FR31FXrPihO |
|---|---|
| Name | p-{[4-amino-5-(p-bromobenzoyl)-3-cyano-2-thienyl]amino}benzoic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16BrN3O3S |
| InChI | InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)13-5-9-15(10-6-13)25-20-16(11-23)17(24)19(29-20)18(26)12-3-7-14(22)8-4-12/h3-10,25H,2,24H2,1H3 |
| InChIKey | HKWFRRXKDSRFBN-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49988M |
| Solvent | DMSO-d6 |