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3-(A-Benzoyloxy-3'',4''-dimethoxy-benzyl)-2-(3',4'-methylenedioxy-A-phenylthio-benzyl)-2-(3',.gamma.-butyrolactone
SpectraBase Compound ID FyYedMvEm5C
InChI InChI=1S/C34H30O8S/c1-37-26-15-13-22(17-28(26)38-2)31(42-33(35)21-9-5-3-6-10-21)25-19-39-34(36)30(25)32(43-24-11-7-4-8-12-24)23-14-16-27-29(18-23)41-20-40-27/h3-18,25,30-32H,19-20H2,1-2H3
InChIKey LVDAREUWBPDXOZ-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C34H30O8S
Exact Mass 598.166139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4ZqQ2tg705
Name 3-(A-Benzoyloxy-3'',4''-dimethoxy-benzyl)-2-(3',4'-methylenedioxy-A-phenylthio-benzyl)-2-(3',.gamma.-butyrolactone
Comments from mixture with minor isomer
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H30O8S
InChI InChI=1S/C34H30O8S/c1-37-26-15-13-22(17-28(26)38-2)31(42-33(35)21-9-5-3-6-10-21)25-19-39-34(36)30(25)32(43-24-11-7-4-8-12-24)23-14-16-27-29(18-23)41-20-40-27/h3-18,25,30-32H,19-20H2,1-2H3
InChIKey LVDAREUWBPDXOZ-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