| SpectraBase Compound ID | ETGiBIQoUf4 |
|---|---|
| InChI | InChI=1S/C34H27Br5N4O9/c35-19-13-18-1-2-27(19)51-28-11-15(5-20(36)30(28)45)3-4-40-33(47)24(42-49)9-16-7-22(38)32(23(39)8-16)52-29-12-17(6-21(37)31(29)46)10-25(43-50)34(48)41-14-26(18)44/h1-2,5-8,11-13,26,44-46,49-50H,3-4,9-10,14H2,(H,40,47)(H,41,48)/b42-24+,43-25- |
| InChIKey | XRCOVLHHCDFIHF-ZLRYYHJDSA-N |
| Mol Weight | 1035.1 g/mol |
| Molecular Formula | C34H27Br5N4O9 |
| Exact Mass | 1029.769493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAPiEhQAeLd |
|---|---|
| Name | BASTADIN-8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H25Br5N4O9 |
| InChI | InChI=1S/C34H27Br5N4O9/c35-19-13-18-1-2-27(19)51-28-11-15(5-20(36)30(28)45)3-4-40-33(47)24(42-49)9-16-7-22(38)32(23(39)8-16)52-29-12-17(6-21(37)31(29)46)10-25(43-50)34(48)41-14-26(18)44/h1-2,5-8,11-13,26,44-46,49-50H,3-4,9-10,14H2,(H,40,47)(H,41,48)/b42-24+,43-25- |
| InChIKey | XRCOVLHHCDFIHF-ZLRYYHJDSA-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 | 1033.114 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWED6152 |