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1-D-O-2'-TRIFLUOROETHYL-MYO-INOSITOL-PHOSPHOROTHIOATE
SpectraBase Compound ID 5kqZtmOUdlP
InChI InChI=1S/C8H14F3O8PS/c9-8(10,11)1-18-20(17,21)19-7-5(15)3(13)2(12)4(14)6(7)16/h2-7,12-16H,1H2,(H,17,21)
InChIKey KHTYFEGYTDRKDO-UHFFFAOYSA-N
Mol Weight 358.22 g/mol
Molecular Formula C8H14F3O8PS
Exact Mass 358.00991 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xXYuXl2Va5
Name 1-D-O-2'-TRIFLUOROETHYL-MYO-INOSITOL-PHOSPHOROTHIOATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H13F3O8PS
InChI InChI=1S/C8H14F3O8PS/c9-8(10,11)1-18-20(17,21)19-7-5(15)3(13)2(12)4(14)6(7)16/h2-7,12-16H,1H2,(H,17,21)
InChIKey KHTYFEGYTDRKDO-UHFFFAOYSA-N
Literature Reference Author C.MIHAI,A.V.KRAVCHUK,M.D.TSAI,K.S.BRUZIK
Literature Reference Citation J.AM.CHEM.SOC.,125,3236(2003)
Literature Reference DOI 10.1021/ja029362s
Solvent D2O
Source File Reference UWLU40815