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5,6-dihydro-N-(mercaptomethyl)-5-methyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diethyl phosphorothioate
SpectraBase Compound ID 4m7sWBfAwHu
InChI InChI=1S/C12H18NO5PS3/c1-4-17-19(16,18-5-2)21-7-13-11(14)9-10(12(13)15)22-8(3)6-20-9/h8H,4-7H2,1-3H3
InChIKey UMTKCVZSTIPSJX-UHFFFAOYSA-N
Mol Weight 383.43 g/mol
Molecular Formula C12H18NO5PS3
Exact Mass 383.008473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzLqcd4j8Qq
Name 5,6-DIHYDRO-N-(MERCAPTOMETHYL)-5-METHYL-p-DITHIIN-2,3-DICARBOXIMIDE, 9-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
Source of Sample F. Gregan, Comenius University, Bratislavia, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18NO5PS3
InChI InChI=1S/C12H18NO5PS3/c1-4-17-19(16,18-5-2)21-7-13-11(14)9-10(12(13)15)22-8(3)6-20-9/h8H,4-7H2,1-3H3
InChIKey UMTKCVZSTIPSJX-UHFFFAOYSA-N
Melting Point 67-69C
Molecular Weight 383.45
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-/MERCAPTOMETHYL/-5-METHYL-, S-ESTER WITH O,O-DIETHYL PHOSPHORO- THIOATE