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3-METHYLPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE
SpectraBase Compound ID Hq6iKC9y40Y
InChI InChI=1S/C13H17ClNO2PS2/c1-9(2)12-8-20-13(19)15(12)18(14,16)17-11-6-4-5-10(3)7-11/h4-7,9,12H,8H2,1-3H3/t12-,18?/m1/s1
InChIKey VPTWXNKRKRKAIT-GKOGFXNCSA-N
Mol Weight 349.83 g/mol
Molecular Formula C13H17ClNO2PS2
Exact Mass 349.012686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WYTjZuXNs5
Name 3-METHYLPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE
Compound Number 5C
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Formula C13H17ClNO2PS2
InChI InChI=1S/C13H17ClNO2PS2/c1-9(2)12-8-20-13(19)15(12)18(14,16)17-11-6-4-5-10(3)7-11/h4-7,9,12H,8H2,1-3H3/t12-,18?/m1/s1
InChIKey VPTWXNKRKRKAIT-GKOGFXNCSA-N
Literature Reference Author C.A.ROMAN,P.WASSERTHAL,J.BALZARINI,C.MEIER
Literature Reference Citation EUR.J.ORG.CHEM.,2011,4899(2011)
Molecular Weight 349.830 g/mol
Solvent CDCl3
Source File Reference UWBT21223