SpectraBase Compound ID | ETGiBIQoUf4 |
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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 |
SpectraBase Spectrum ID | CAPiEhQAeLd |
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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 |