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4-METHYLPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MAJOR_DIASTEREOMER
SpectraBase Compound ID 1QLRjFto186
InChI InChI=1S/C13H17ClNO2PS2/c1-9(2)12-8-20-13(19)15(12)18(14,16)17-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKey IBMGJFOFGGPXBH-UHFFFAOYSA-N
Mol Weight 349.83 g/mol
Molecular Formula C13H17ClNO2PS2
Exact Mass 349.012686 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QuzxvhkjCG
Name 4-METHYLPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MINOR_DIASTEREOMER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17ClNO2PS2
InChI InChI=1S/C13H17ClNO2PS2/c1-9(2)12-8-20-13(19)15(12)18(14,16)17-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKey IBMGJFOFGGPXBH-UHFFFAOYSA-N
Literature Reference Author C.A.ROMAN,J.BALZARINI,C.MEIER
Literature Reference Citation J.MED.CHEM.,53,7675(2010)
Literature Reference DOI 10.1021/jm100817f
Solvent CDCl3
Source File Reference UWMZ40545