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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Czh0c2qLLe1
Name 5,6-DIHYDRO-N-(MERCAPTOMETHYL)-5-PHENYL-p-DITHIIN-2,3-DICARBOXIMIDE, S-ESTER WITH O,O-DIETHYL PHOSPHORODITHIOATE
Source of Sample F. Gregan, Comenius University, Bratislavia, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Melting Point 115-118C
Molecular Weight 461.58
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-/MERCAPTOMETHYL/-5-PHENYL-, S-ESTER WITH O,O-DIETHYL PHOSPHORODI- THIOATE