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XXQWMLAKZOJMIO-NVWHPRHESA-L
SpectraBase Compound ID FOUMw6itB45
InChI InChI=1S/2C27H26N3O6PS2.Hg/c2*1-20(31)28-23-10-14-25(15-11-23)36-37(38,39)35-18-17-29(2)24-12-7-21(8-13-24)5-3-4-6-22-9-16-26(30(33)34)27(32)19-22;/h2*4,6-16,19,32H,17-18H2,1-2H3,(H,28,31)(H,38,39);/q;;+2/p-2/b2*6-4+;
InChIKey XXQWMLAKZOJMIO-NVWHPRHESA-L
Mol Weight 1365.8 g/mol
Molecular Formula C54H50HgN6O12P2S4
Exact Mass 1366.155124 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4BNByZ1JZc
Name XXQWMLAKZOJMIO-NVWHPRHESA-L
Compound Number 1*HG
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H50HgN6O12P2S4
InChI InChI=1S/2C27H26N3O6PS2.Hg/c2*1-20(31)28-23-10-14-25(15-11-23)36-37(38,39)35-18-17-29(2)24-12-7-21(8-13-24)5-3-4-6-22-9-16-26(30(33)34)27(32)19-22;/h2*4,6-16,19,32H,17-18H2,1-2H3,(H,28,31)(H,38,39);/q;;+2/p-2/b2*6-4+;
InChIKey XXQWMLAKZOJMIO-NVWHPRHESA-L
Literature Reference Author O.BRUEMMER,J.J.L.CLAIR,K.D.JANDA
Literature Reference Citation ORG.LETTERS,1,415(1999)
Literature Reference DOI 10.1021/ol990730f
Solvent DMSO-D6
Source File Reference UWSI26359