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5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diisobutyl phosphorothioate
SpectraBase Compound ID 3gMtzqmn1os
InChI InChI=1S/C21H28NO4PS4/c1-14(2)10-25-27(28,26-11-15(3)4)30-13-22-20(23)18-19(21(22)24)31-17(12-29-18)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKey YDOIELLGDICLTG-UHFFFAOYSA-N
Mol Weight 517.7 g/mol
Molecular Formula C21H28NO4PS4
Exact Mass 517.06388 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HijL6FFLMWf
Name 5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diisobutyl phosphorothioate
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Formula C21H28NO4PS4
InChI InChI=1S/C21H28NO4PS4/c1-14(2)10-25-27(28,26-11-15(3)4)30-13-22-20(23)18-19(21(22)24)31-17(12-29-18)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKey YDOIELLGDICLTG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 32823M
Solvent CDCl3