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6-(4'-METHYLPHENYLTHIO)-2,4,8,10-TETRA-TERT.-BUTYLDIBENZO-[D,G]-[1,3,6,2]-DIOXATHIAPHOSPHOCIN-6-OXIDE
SpectraBase Compound ID 4qqq2oiX5cF
InChI InChI=1S/C35H47O3PS2/c1-22-14-16-25(17-15-22)41-39(36)37-30-26(34(8,9)10)18-23(32(2,3)4)20-28(30)40-29-21-24(33(5,6)7)19-27(31(29)38-39)35(11,12)13/h14-21H,1-13H3
InChIKey IKINUALKNZKTTF-UHFFFAOYSA-N
Mol Weight 610.9 g/mol
Molecular Formula C35H47O3PS2
Exact Mass 610.270425 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9h7gePIHxcy
Name 6-(4'-METHYLPHENYLTHIO)-2,4,8,10-TETRA-TERT.-BUTYLDIBENZO-[D,G]-[1,3,6,2]-DIOXATHIAPHOSPHOCIN-6-OXIDE
Compound Number 4K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H47O3PS2
InChI InChI=1S/C35H47O3PS2/c1-22-14-16-25(17-15-22)41-39(36)37-30-26(34(8,9)10)18-23(32(2,3)4)20-28(30)40-29-21-24(33(5,6)7)19-27(31(29)38-39)35(11,12)13/h14-21H,1-13H3
InChIKey IKINUALKNZKTTF-UHFFFAOYSA-N
Literature Reference Author M.KASTHURAIAH,K.A.KUMAR,C.S.REDDY
Literature Reference Citation J.HETCYCL.CHEM.,41,413(2004)
Literature Reference DOI 10.1002/jhet.5570410318
Solvent CDCl3
Source File Reference UWLU22313