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4-BROMOPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE
SpectraBase Compound ID 16YR17Ju7PU
InChI InChI=1S/C12H14BrClNO2PS2/c1-8(2)11-7-20-12(19)15(11)18(14,16)17-10-5-3-9(13)4-6-10/h3-6,8,11H,7H2,1-2H3/t11-,18?/m1/s1
InChIKey KHJJBIUSBBWWFS-SSJGJQFISA-N
Mol Weight 414.7 g/mol
Molecular Formula C12H14BrClNO2PS2
Exact Mass 412.907549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7Fg11Lo6y1
Name 4-BROMOPHENYL-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE
Compound Number 5K
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Formula C12H14BrClNO2PS2
InChI InChI=1S/C12H14BrClNO2PS2/c1-8(2)11-7-20-12(19)15(11)18(14,16)17-10-5-3-9(13)4-6-10/h3-6,8,11H,7H2,1-2H3/t11-,18?/m1/s1
InChIKey KHJJBIUSBBWWFS-SSJGJQFISA-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 414.699 g/mol
Solvent CDCl3
Source File Reference UWBT21229