![p-{[4-amino-3-cyano-5-(m-nitrobenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester](/api/spectrum/AblfuNfDoql/structure.png?h=300&w=458 "p-{[4-amino-3-cyano-5-(m-nitrobenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester")
| SpectraBase Compound ID | 957AqqkpqZU |
|---|---|
| InChI | InChI=1S/C21H16N4O5S/c1-2-30-21(27)12-6-8-14(9-7-12)24-20-16(11-22)17(23)19(31-20)18(26)13-4-3-5-15(10-13)25(28)29/h3-10,24H,2,23H2,1H3 |
| InChIKey | BBMXMYSEICDMIK-UHFFFAOYSA-N |
| Mol Weight | 436.44 g/mol |
| Molecular Formula | C21H16N4O5S |
| Exact Mass | 436.084141 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AblfuNfDoql |
|---|---|
| Name | p-{[4-amino-3-cyano-5-(m-nitrobenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16N4O5S |
| InChI | InChI=1S/C21H16N4O5S/c1-2-30-21(27)12-6-8-14(9-7-12)24-20-16(11-22)17(23)19(31-20)18(26)13-4-3-5-15(10-13)25(28)29/h3-10,24H,2,23H2,1H3 |
| InChIKey | BBMXMYSEICDMIK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49987M |
| Solvent | DMSO-d6 |