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3-(A-Hydroxy-3'',4''-methylenedioxy-benzyl)-2-(3',4',5'-trimethoxy-A-phenylthio-benzyl).gamma.-butyrolactone
SpectraBase Compound ID 6iaQnlKKOHS
InChI InChI=1S/C28H28O8S/c1-31-22-12-17(13-23(32-2)26(22)33-3)27(37-18-7-5-4-6-8-18)24-19(14-34-28(24)30)25(29)16-9-10-20-21(11-16)36-15-35-20/h4-13,19,24-25,27,29H,14-15H2,1-3H3
InChIKey WHBMZBVDVUPGDH-UHFFFAOYSA-N
Mol Weight 524.58 g/mol
Molecular Formula C28H28O8S
Exact Mass 524.150489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1k6CiawyF8z
Name 3-(A-Hydroxy-3'',4''-methylenedioxy-benzyl)-2-(3',4',5'-trimethoxy-A-phenylthio-benzyl).gamma.-butyrolactone
Comments from mixture with minor isomer
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H28O8S
InChI InChI=1S/C28H28O8S/c1-31-22-12-17(13-23(32-2)26(22)33-3)27(37-18-7-5-4-6-8-18)24-19(14-34-28(24)30)25(29)16-9-10-20-21(11-16)36-15-35-20/h4-13,19,24-25,27,29H,14-15H2,1-3H3
InChIKey WHBMZBVDVUPGDH-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