| SpectraBase Spectrum ID |
EQ1JsnRdvU4 |
| Name |
(2E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-3-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)-3-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acrylonitrile |
| Appearance |
Black powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
846.823598037 u |
| Formula |
C25H21Br4N7O7 |
| InChI |
InChI=1S/C25H21Br4N7O7/c1-35(7-12(38)20(40)21(41)13(39)8-37)22(11(6-30)33-34-25-31-9-4-2-3-5-10(9)32-25)36-23(42)14-15(24(36)43)17(27)19(29)18(28)16(14)26/h2-5,12-13,20-21,37-41H,7-8H2,1H3,(H,31,32)/b22-11+,34-33?/t12-,13+,20+,21+/m0/s1 |
| InChIKey |
GWTWUBZRMDURIX-NENHRHOUSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.arabjc.2022.104505 |
| Molecular Weight |
851.101 g/mol |
| Quality |
260 |
| SMILES |
N1C=2C=CC=CC2N=C1N=N\C(=C/(N(C[C@@]([C@]([C@@]([C@@](CO)(O)[H])(O)[H])(O)[H])(O)[H])C)N1C(C2=C(C1=O)C(=C(C(=C2Br)Br)Br)Br)=O)C#N |
| SPLASH |
splash10-01qc-5100055920-4b19f01e1f3b066f18a3 |
| Source of Spectrum |
AJC-16-15-25 (DOI: 10.1016/j.arabjc.2022.104505) |
| Wiley ID |
1911044 |
![(2E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-3-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)-3-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acrylonitrile](/api/spectrum/EQ1JsnRdvU4/structure.png?h=300&w=458 "(2E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-3-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)-3-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acrylonitrile")
