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DIISOPROPYL_(2-IODOBENZYL)-PHOSPHOROTHIOATE
SpectraBase Compound ID Kdhb3RAfyET
InChI InChI=1S/C13H20IO3PS/c1-10(2)16-18(15,17-11(3)4)19-9-12-7-5-6-8-13(12)14/h5-8,10-11H,9H2,1-4H3
InChIKey GYFBAUYFKNAVTG-UHFFFAOYSA-N
Mol Weight 414.24 g/mol
Molecular Formula C13H20IO3PS
Exact Mass 413.991548 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5AKpmkN5Tca
Name DIISOPROPYL_(2-IODOBENZYL)-PHOSPHOROTHIOATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20IO3PS
InChI InChI=1S/C13H20IO3PS/c1-10(2)16-18(15,17-11(3)4)19-9-12-7-5-6-8-13(12)14/h5-8,10-11H,9H2,1-4H3
InChIKey GYFBAUYFKNAVTG-UHFFFAOYSA-N
Literature Reference Author P.LASSAUX,M.HAMEL,M.GULEA,H.DELBRUECK,P.S.MERCURI,L.HORSFALL ,D.DEHARENG,M.KUPPER
Literature Reference Citation J.MED.CHEM.,53,4862(2010)
Literature Reference DOI 10.1021/jm100213c
Solvent CDCl3
Source File Reference UWMZ40536