![1,3-Bis[[[6-(1-butyrylamino)pyrid-2-yl]amino]carbonyl]-5-nitrobenzene](/api/spectrum/KOauZqF70CX/structure.png?h=300&w=458 "1,3-Bis[[[6-(1-butyrylamino)pyrid-2-yl]amino]carbonyl]-5-nitrobenzene")
| SpectraBase Compound ID | 3nxga1TxF6Y |
|---|---|
| InChI | InChI=1S/C26H27N7O6/c1-3-7-23(34)29-19-9-5-11-21(27-19)31-25(36)16-13-17(15-18(14-16)33(38)39)26(37)32-22-12-6-10-20(28-22)30-24(35)8-4-2/h5-6,9-15H,3-4,7-8H2,1-2H3,(H2,27,29,31,34,36)(H2,28,30,32,35,37) |
| InChIKey | IGQWMFJBJUQZAP-UHFFFAOYSA-N |
| Mol Weight | 533.55 g/mol |
| Molecular Formula | C26H27N7O6 |
| Exact Mass | 533.202282 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KOauZqF70CX |
|---|---|
| Name | 1,3-Bis[[[6-(1-butyrylamino)pyrid-2-yl]amino]carbonyl]-5-nitrobenzene |
| Alternate Name(s) | N(1),N(3)-bis[6-(butyrylamino)-2-pyridinyl]-5-nitroisophthalamide |
| CAS Registry Number | 129648-69-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H27N7O6 |
| InChI | InChI=1S/C26H27N7O6/c1-3-7-23(34)29-19-9-5-11-21(27-19)31-25(36)16-13-17(15-18(14-16)33(38)39)26(37)32-22-12-6-10-20(28-22)30-24(35)8-4-2/h5-6,9-15H,3-4,7-8H2,1-2H3,(H2,27,29,31,34,36)(H2,28,30,32,35,37) |
| InChIKey | IGQWMFJBJUQZAP-UHFFFAOYSA-N |
| Molecular Weight | 533.545 g/mol |
| SMILES | N(C(c1cc(cc(C(Nc2nc(ccc2)NC(=O)CCC)=O)c1)N(=O)=O)=O)c1nc(ccc1)NC(=O)CCC |
| SPLASH | splash10-00dl-3500920000-788bb1cd97248ef3a497 |
| Source of Spectrum | C-112-9589-7 |
| Wiley ID | 1403700 |