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PHOSPHOROTHIOATE
SpectraBase Compound ID ssgtdSk7hX
InChI InChI=1S/C42H59N4O11PSSi2.C16H36N/c1-27-23-45(39(49)43-37(27)47)35-21-31(34(55-35)26-53-60(9,10)41(3,4)5)56-58(51,59)52-25-33-32(22-36(54-33)46-24-28(2)38(48)44-40(46)50)57-61(42(6,7)8,29-17-13-11-14-18-29)30-19-15-12-16-20-30;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h11-20,23-24,31-36H,21-22,25-26H2,1-10H3,(H,51,59)(H,43,47,49)(H,44,48,50);5-16H2,1-4H3/q;+1/p-1/t31-,32+,33-,34+,35+,36+,58?;/m0./s1
InChIKey MUBNFVCXNLRDFR-FTQFGRSFSA-M
Mol Weight 1156.6 g/mol
Molecular Formula C58H94N5O11PSSi2
Exact Mass 1155.59467 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43ckFNRv6NF
Name PHOSPHOROTHIOATE
Compound Number 11-S(P)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H94N5O11PSSi2
InChI InChI=1S/C42H59N4O11PSSi2.C16H36N/c1-27-23-45(39(49)43-37(27)47)35-21-31(34(55-35)26-53-60(9,10)41(3,4)5)56-58(51,59)52-25-33-32(22-36(54-33)46-24-28(2)38(48)44-40(46)50)57-61(42(6,7)8,29-17-13-11-14-18-29)30-19-15-12-16-20-30;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h11-20,23-24,31-36H,21-22,25-26H2,1-10H3,(H,51,59)(H,43,47,49)(H,44,48,50);5-16H2,1-4H3/q;+1/p-1/t31-,32+,33-,34+,35+,36+,58?;/m0./s1
InChIKey MUBNFVCXNLRDFR-FTQFGRSFSA-M
Literature Reference Author J.C.WANG,G.JUST
Literature Reference Citation J.ORG.CHEM.,64,8090(1999)
Literature Reference DOI 10.1021/jo990242l
Solvent D2O
Source File Reference UWSI41020