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3-(3'',4''-Dimethoxy-A,A-bis[phenylthio]benzyl)(A-benzoyloxy-3',4'-methylenedioxy-benzyl).gamma.-butyrolactone
SpectraBase Compound ID B0hbmqoJ28l
InChI InChI=1S/C40H34O8S2/c1-43-32-21-19-28(23-34(32)44-2)40(49-29-14-8-4-9-15-29,50-30-16-10-5-11-17-30)31-24-45-39(42)36(31)37(48-38(41)26-12-6-3-7-13-26)27-18-20-33-35(22-27)47-25-46-33/h3-23,31,36-37H,24-25H2,1-2H3
InChIKey WDXJQGMIJQYUDQ-UHFFFAOYSA-N
Mol Weight 706.8 g/mol
Molecular Formula C40H34O8S2
Exact Mass 706.16951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TZ19t4dkKG
Name 3-(3'',4''-Dimethoxy-A,A-bis[phenylthio]benzyl)(A-benzoyloxy-3',4'-methylenedioxy-benzyl).gamma.-butyrolactone
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Formula C40H34O8S2
InChI InChI=1S/C40H34O8S2/c1-43-32-21-19-28(23-34(32)44-2)40(49-29-14-8-4-9-15-29,50-30-16-10-5-11-17-30)31-24-45-39(42)36(31)37(48-38(41)26-12-6-3-7-13-26)27-18-20-33-35(22-27)47-25-46-33/h3-23,31,36-37H,24-25H2,1-2H3
InChIKey WDXJQGMIJQYUDQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A. Pelter, R.S. Ward, M.C. Pritchard, J. Chem. Soc. Perkin I 1603 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3