| SpectraBase Compound ID | IvcaePoMEZ1 |
|---|---|
| InChI | InChI=1S/C26H20N6O6S2/c27-15-19(25(33)31-21-5-9-23(10-6-21)39(29,35)36)13-17-1-2-18(4-3-17)14-20(16-28)26(34)32-22-7-11-24(12-8-22)40(30,37)38/h1-14H,(H,31,33)(H,32,34)(H2,29,35,36)(H2,30,37,38)/b19-13+,20-14+ |
| InChIKey | KMWYMKSQIWDAAJ-IWGRKNQJSA-N |
| Mol Weight | 576.6 g/mol |
| Molecular Formula | C26H20N6O6S2 |
| Exact Mass | 576.088575 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I4xlctJiqJ4 |
|---|---|
| Name | (E)-2-cyano-N-[4-(aminosulfonyl)phenyl]-3-(4-(2-(4-amino-sulfonylphenylcarbamoyl)-2-cyanovinyl)phenyl)acrylamide |
| Appearance | Yellow crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H20N6O6S2 |
| InChI | InChI=1S/C26H20N6O6S2/c27-15-19(25(33)31-21-5-9-23(10-6-21)39(29,35)36)13-17-1-2-18(4-3-17)14-20(16-28)26(34)32-22-7-11-24(12-8-22)40(30,37)38/h1-14H,(H,31,33)(H,32,34)(H2,29,35,36)(H2,30,37,38)/b19-13+,20-14+ |
| InChIKey | KMWYMKSQIWDAAJ-IWGRKNQJSA-N |
| Instrument Name | JEOL-JMS 600 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.2576 |
| Molecular Weight | 576.602 g/mol |
| SMILES | N(C(\C(=C\c1ccc(\C=C\(C(Nc2ccc(S(N)(=O)=O)cc2)=O)C#N)cc1)C#N)=O)c1ccc(S(N)(=O)=O)cc1 |
| SPLASH | splash10-0006-9020000000-1428118c736b9c39810d |
| Source of Spectrum | Y-54-274-18 |
| Wiley ID | 1877800 |