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PSAMMAPLIN-J

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PSAMMAPLIN-J
SpectraBase Compound ID DkcEPlvIMNx
InChI InChI=1S/C22H24Br2N4O7S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-36-37(35)8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17+,28-18+
InChIKey DTWRCMLMLQPVAK-XUIWWLCJSA-N
Mol Weight 680.38 g/mol
Molecular Formula C22H24Br2N4O7S2
Exact Mass 677.945317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmmU97MRXiv
Name PSAMMAPLIN-J
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22Br2N4O7S2
InChI InChI=1S/C22H24Br2N4O7S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-36-37(35)8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17+,28-18+
InChIKey DTWRCMLMLQPVAK-XUIWWLCJSA-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 678.367 g/mol
Solvent CD3OD
Source File Reference UWLU23221