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BASTADIN-8
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

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