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5,6-dihydro-N-(mercaptomethyl)-p-dithiin-2,3-dicarboximide, S-ester with O,O-dimethyl phosphorothioate
SpectraBase Compound ID J9MrZtZMH95
InChI InChI=1S/C9H12NO5PS3/c1-14-16(13,15-2)19-5-10-8(11)6-7(9(10)12)18-4-3-17-6/h3-5H2,1-2H3
InChIKey GTBWXJWABKGSPG-UHFFFAOYSA-N
Mol Weight 341.35 g/mol
Molecular Formula C9H12NO5PS3
Exact Mass 340.961523 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CoHcSE3y5TL
Name 5,6-DIHYDRO-N-(MERCAPTOMETHYL)-p-DITHIIN-2,3-DICARBOXIMIDE, 9-ESTER WITH O,O-DIMETHYL PHOSPHOROTHIOATE
Source of Sample F. Gregan, Comenius University, Bratislavia, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12NO5PS3
InChI InChI=1S/C9H12NO5PS3/c1-14-16(13,15-2)19-5-10-8(11)6-7(9(10)12)18-4-3-17-6/h3-5H2,1-2H3
InChIKey GTBWXJWABKGSPG-UHFFFAOYSA-N
Melting Point 129-130C
Molecular Weight 341.37
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-/MERCAPTOMETHYL/-, S-ESTER WITH O,O-DIMETHYL PHOSPHOROTHIOATE