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Psammaplin D
SpectraBase Compound ID 1XGepdnKV9C
InChI InChI=1S/C15H20BrN3O5S2/c1-24-15(22)18-5-7-26-25-6-4-17-14(21)12(19-23)9-10-2-3-13(20)11(16)8-10/h2-3,8,20,23H,4-7,9H2,1H3,(H,17,21)(H,18,22)/b19-12+
InChIKey QBAGBBYBQAYFBT-XDHOZWIPSA-N
Mol Weight 466.37 g/mol
Molecular Formula C15H20BrN3O5S2
Exact Mass 465.002776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5NuKf8BQ4M
Name PSAMMAPLIN-D
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19BrN3O5S2
InChI InChI=1S/C15H20BrN3O5S2/c1-24-15(22)18-5-7-26-25-6-4-17-14(21)12(19-23)9-10-2-3-13(20)11(16)8-10/h2-3,8,20,23H,4-7,9H2,1H3,(H,17,21)(H,18,22)/b19-12+
InChIKey QBAGBBYBQAYFBT-XDHOZWIPSA-N
Literature Reference Author I.C.PINA,J.T.GAUTSCHI,G.Y.S.WANG,M.L.SANDERS,F.J.SCHMITZ,D.F RANCE,S.C.KENNON,L.C
Literature Reference Citation J.ORG.CHEM.,68,3866(2003)
Literature Reference DOI 10.1021/jo034248t
Molecular Weight 465.357 g/mol
Solvent CH3CN-D3
Source File Reference UWLU23218