John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F3SuPVNTZq3 SpectraBase Spectrum ID=3LXZ19oimRs

(accessed ).
5,6-dihydro-N-(mercaptomethyl)-5-methyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diisobutyl phosphorodithioate
SpectraBase Compound ID F3SuPVNTZq3
InChI InChI=1S/C16H26NO4PS4/c1-10(2)6-20-22(23,21-7-11(3)4)25-9-17-15(18)13-14(16(17)19)26-12(5)8-24-13/h10-12H,6-9H2,1-5H3
InChIKey JDMWQZLFVXGFPV-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C16H26NO4PS4
Exact Mass 455.048234 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LXZ19oimRs
Name 5,6-dihydro-N-(mercaptomethyl)-5-methyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diisobutyl phosphorodithioate
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Formula C16H26NO4PS4
InChI InChI=1S/C16H26NO4PS4/c1-10(2)6-20-22(23,21-7-11(3)4)25-9-17-15(18)13-14(16(17)19)26-12(5)8-24-13/h10-12H,6-9H2,1-5H3
InChIKey JDMWQZLFVXGFPV-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 32756M
Solvent CDCl3
SpectraBase Batch ID lXNW33d0Qc