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5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-dibutyl phosphorothioate
SpectraBase Compound ID 6yLSLgeq5ZI
InChI InChI=1S/C21H28NO5PS3/c1-3-5-12-26-28(25,27-13-6-4-2)30-15-22-20(23)18-19(21(22)24)31-17(14-29-18)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3
InChIKey ZUXFRHOATOPOHQ-UHFFFAOYSA-N
Mol Weight 501.61 g/mol
Molecular Formula C21H28NO5PS3
Exact Mass 501.086724 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26RjP9qj9Yv
Name 5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-dibutyl phosphorothioate
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28NO5PS3
InChI InChI=1S/C21H28NO5PS3/c1-3-5-12-26-28(25,27-13-6-4-2)30-15-22-20(23)18-19(21(22)24)31-17(14-29-18)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3
InChIKey ZUXFRHOATOPOHQ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 33981M
Solvent CDCl3