![1,3-dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid](/api/spectrum/GmFrKWNMRUY/structure.png?h=300&w=458 "1,3-dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid")
| SpectraBase Compound ID | BOorNLSh218 |
|---|---|
| InChI | InChI=1S/C22H19N3O6S/c1-2-31-12-7-8-15-17(11-12)32-22(23-15)24-18(26)10-9-16(21(29)30)25-19(27)13-5-3-4-6-14(13)20(25)28/h3-8,11,16H,2,9-10H2,1H3,(H,29,30)(H,23,24,26) |
| InChIKey | CXLUJEGQCXDDEF-UHFFFAOYSA-N |
| Mol Weight | 453.47 g/mol |
| Molecular Formula | C22H19N3O6S |
| Exact Mass | 453.099457 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmFrKWNMRUY |
|---|---|
| Name | 1,3-dioxo-alpha-{2-[(6-ethoxy-2-benzothiazolyl)carbamoyl]ethyl}-2-isoindolineacetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H19N3O6S |
| InChI | InChI=1S/C22H19N3O6S/c1-2-31-12-7-8-15-17(11-12)32-22(23-15)24-18(26)10-9-16(21(29)30)25-19(27)13-5-3-4-6-14(13)20(25)28/h3-8,11,16H,2,9-10H2,1H3,(H,29,30)(H,23,24,26) |
| InChIKey | CXLUJEGQCXDDEF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56849M |
| Solvent | Polysol |