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2-METHYLPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MAJOR_DIASTEREOMER
SpectraBase Compound ID 2ec1Aiv3Fa1
InChI InChI=1S/C13H17ClNO2PS2/c1-9(2)11-8-20-13(19)15(11)18(14,16)17-12-7-5-4-6-10(12)3/h4-7,9,11H,8H2,1-3H3
InChIKey CIBBEADUXFRWLD-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 LffkCdE2Z72
Name 2-METHYLPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MAJOR_DIASTEREOMER
Compound Number 4C
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)11-8-20-13(19)15(11)18(14,16)17-12-7-5-4-6-10(12)3/h4-7,9,11H,8H2,1-3H3
InChIKey CIBBEADUXFRWLD-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 UWMZ40550