| SpectraBase Compound ID | 49sTHAorOtm |
|---|---|
| InChI | InChI=1S/C34H28Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-33(45)25(41-47)13-19-11-23(37)32(24(38)12-19)50-30-16-20(10-22(36)31(30)44)14-26(42-48)34(46)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,46)(H,40,45)/b41-25-,42-26- |
| InChIKey | IHQGNSPVGIMQBJ-ZHEAWEGVSA-N |
| Mol Weight | 940.2 g/mol |
| Molecular Formula | C34H28Br4N4O8 |
| Exact Mass | 935.864066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KURz7CFIggt |
|---|---|
| Name | BASTADIN-9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H26Br4N4O8 |
| InChI | InChI=1S/C34H28Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-33(45)25(41-47)13-19-11-23(37)32(24(38)12-19)50-30-16-20(10-22(36)31(30)44)14-26(42-48)34(46)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,46)(H,40,45)/b41-25-,42-26- |
| InChIKey | IHQGNSPVGIMQBJ-ZHEAWEGVSA-N |
| Literature Reference Author | E.O.PORDESIMO,F.J.SCHMITZ |
| Literature Reference Citation | J.ORG.CHEM.,55,4704(1990) |
| Literature Reference DOI | 10.1021/jo00302a041 |
| Molecular Weight | 938.218 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWED6154 |