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5,6-dihydro-N-(mercaptomethyl)-p-dithiin-2,3-dicarboximide, S-ester with O,O-dipropyl phosphorothioate
SpectraBase Compound ID 1rZsR4lTwrf
InChI InChI=1S/C13H20NO5PS3/c1-3-5-18-20(17,19-6-4-2)23-9-14-12(15)10-11(13(14)16)22-8-7-21-10/h3-9H2,1-2H3
InChIKey RLLOUNIABWQWGN-UHFFFAOYSA-N
Mol Weight 397.46 g/mol
Molecular Formula C13H20NO5PS3
Exact Mass 397.024123 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMOgU1mRHDU
Name 5,6-DIHYDRO-N-(MERCAPTOMETHYL)-p-DITHIIN-2,3-DICARBOXIMIDE, 9-ESTER WITH O,O-DIPROPYL PHOSPHOROTHIOATE
Source of Sample F. Gregan, Comenius University, Bratislavia, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20NO5PS3
InChI InChI=1S/C13H20NO5PS3/c1-3-5-18-20(17,19-6-4-2)23-9-14-12(15)10-11(13(14)16)22-8-7-21-10/h3-9H2,1-2H3
InChIKey RLLOUNIABWQWGN-UHFFFAOYSA-N
Melting Point 84-85C
Molecular Weight 397.47
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-/MERCAPTOMETHYL/-, S-ESTER WITH O,O-DIPROPYL PHOSPHOROTHIOATE