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DO3A-((T)-BUO)3*HBR
SpectraBase Compound ID 3y7Fthh6y4m
InChI InChI=1S/C26H49BrN4O6/c1-24(2,3)35-21(32)18-28-10-12-29(19-22(33)36-25(4,5)6)14-16-31(27)17-15-30(13-11-28)20-23(34)37-26(7,8)9/h10-20H2,1-9H3
InChIKey SGKINWLRBXHILA-UHFFFAOYSA-N
Mol Weight 593.6 g/mol
Molecular Formula C26H49BrN4O6
Exact Mass 592.283548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8p8aS1WorAQ
Name DO3A-((T)-BUO)3*HBR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H49BrN4O6
InChI InChI=1S/C26H49BrN4O6/c1-24(2,3)35-21(32)18-28-10-12-29(19-22(33)36-25(4,5)6)14-16-31(27)17-15-30(13-11-28)20-23(34)37-26(7,8)9/h10-20H2,1-9H3
InChIKey SGKINWLRBXHILA-UHFFFAOYSA-N
Literature Reference Author S.GU,H.K.KIM,G.H.LEE,B.S.KANG,Y.CHANG,T.J.KIM
Literature Reference Citation J.MED.CHEM.,54,143(2011)
Literature Reference DOI 10.1021/jm100966t
Molecular Weight 593.602 g/mol
Solvent CDCl3
Source File Reference UWMZ47130