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PSAMMAPLIN-F;SYNTHETIC-PRODUCT

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PSAMMAPLIN-F;SYNTHETIC-PRODUCT
SpectraBase Compound ID BfIEUf8QdCV
InChI InChI=1S/C15H18BrN3O6S2/c16-10-7-9(1-2-12(10)20)8-11(19-25)13(21)17-3-5-26-27-6-4-18-14(22)15(23)24/h1-2,7,20,25H,3-6,8H2,(H,17,21)(H,18,22)(H,23,24)/b19-11+
InChIKey RANXASMHOHQHDA-YBFXNURJSA-N
Mol Weight 480.35 g/mol
Molecular Formula C15H18BrN3O6S2
Exact Mass 478.982041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zGlInQr9V3
Name PSAMMAPLIN-F
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17BrN3O6S2
InChI InChI=1S/C15H18BrN3O6S2/c16-10-7-9(1-2-12(10)20)8-11(19-25)13(21)17-3-5-26-27-6-4-18-14(22)15(23)24/h1-2,7,20,25H,3-6,8H2,(H,17,21)(H,18,22)(H,23,24)/b19-11+
InChIKey RANXASMHOHQHDA-YBFXNURJSA-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 479.340 g/mol
Solvent CD3OD
Source File Reference UWLU23217