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5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diethyl phosphorodithioate
SpectraBase Compound ID Ex68WsQ8FRh
InChI InChI=1S/C17H20NO4PS4/c1-3-21-23(24,22-4-2)26-11-18-16(19)14-15(17(18)20)27-13(10-25-14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey ZWJABGORNJZWIF-UHFFFAOYSA-N
Mol Weight 461.6 g/mol
Molecular Formula C17H20NO4PS4
Exact Mass 461.00128 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LA485abSIFE
Name 5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diethyl phosphorodithioate
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Formula C17H20NO4PS4
InChI InChI=1S/C17H20NO4PS4/c1-3-21-23(24,22-4-2)26-11-18-16(19)14-15(17(18)20)27-13(10-25-14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey ZWJABGORNJZWIF-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 32761M
Solvent CDCl3