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BASTADIN-11
SpectraBase Compound ID AbKPOzVwtwP
InChI InChI=1S/C34H26Br4N4O8/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/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)/b7-5+,41-25-,42-26-
InChIKey RBCRIVNEAVWDIU-GHBCOKBKSA-N
Mol Weight 938.2 g/mol
Molecular Formula C34H26Br4N4O8
Exact Mass 933.848416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DIRp3pjVmZ
Name BASTADIN-11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H24Br4N4O8
InChI InChI=1S/C34H26Br4N4O8/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/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)/b7-5+,41-25-,42-26-
InChIKey RBCRIVNEAVWDIU-GHBCOKBKSA-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 936.203 g/mol
Solvent DMSO-D6
Source File Reference UWED6155