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3-(3'',4''-Dimethoxy-A,A-bis[phenylthio]benzyl)(A-hydroxy-3',4'-methylenedioxy-benzyl).gamma.-butyrolactone
SpectraBase Compound ID 8MbMvwh3xNw
InChI InChI=1S/C33H30O7S2/c1-36-26-16-14-22(18-28(26)37-2)33(41-23-9-5-3-6-10-23,42-24-11-7-4-8-12-24)25-19-38-32(35)30(25)31(34)21-13-15-27-29(17-21)40-20-39-27/h3-18,25,30-31,34H,19-20H2,1-2H3
InChIKey RHDCFSWGXXKMBA-UHFFFAOYSA-N
Mol Weight 602.7 g/mol
Molecular Formula C33H30O7S2
Exact Mass 602.143296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAXPjTOOxPP
Name 3-(3'',4''-Dimethoxy-A,A-bis[phenylthio]benzyl)(A-hydroxy-3',4'-methylenedioxy-benzyl).gamma.-butyrolactone
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Formula C33H30O7S2
InChI InChI=1S/C33H30O7S2/c1-36-26-16-14-22(18-28(26)37-2)33(41-23-9-5-3-6-10-23,42-24-11-7-4-8-12-24)25-19-38-32(35)30(25)31(34)21-13-15-27-29(17-21)40-20-39-27/h3-18,25,30-31,34H,19-20H2,1-2H3
InChIKey RHDCFSWGXXKMBA-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