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5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diethyl phosphorothioate
SpectraBase Compound ID IZcs9vUjh3h
InChI InChI=1S/C17H20NO5PS3/c1-3-22-24(21,23-4-2)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 MRJJNUHFCQBDJR-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C17H20NO5PS3
Exact Mass 445.024123 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8myW3JOtoTN
Name 5,6-DIHYDRO-N-(MERCAPTOMETHYL)-5-PHENYL-p-DITHIIN-2,3-DICARBOXIMIDE, S-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
Source of Sample F. Gregan, Comenius University, Bratislava, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20NO5PS3
InChI InChI=1S/C17H20NO5PS3/c1-3-22-24(21,23-4-2)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 MRJJNUHFCQBDJR-UHFFFAOYSA-N
Literature Reference CHEM. ZVESTI 30, 547(1976) Abstract-Chemical Abstracts= 87, 167953(1977)
Melting Point 133-135C
Molecular Weight 445.498993
Synonyms P-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DI- HYDRO-N-/MERCAPTOMETHYL/-5-PHENYL-, S-ESTER WITH O,O-DIETHYL PHOSPHORO- THIOATE
Technique FILM (CAST FROM CHCl3)