For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(A-Benzoyloxy-3'',4''-methylenedioxy-benzyl)-2-(3',4',5'-trimethoxy-A-phenylthio-benzyl).gamma.-butyrolactone
SpectraBase Compound ID JmO1GP0lSLv
InChI InChI=1S/C35H32O9S/c1-38-28-17-23(18-29(39-2)32(28)40-3)33(45-24-12-8-5-9-13-24)30-25(19-41-35(30)37)31(44-34(36)21-10-6-4-7-11-21)22-14-15-26-27(16-22)43-20-42-26/h4-18,25,30-31,33H,19-20H2,1-3H3
InChIKey WUNQBTPBWYKIRJ-UHFFFAOYSA-N
Mol Weight 628.7 g/mol
Molecular Formula C35H32O9S
Exact Mass 628.176704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6NK762WQsLx
Name 3-(A-Benzoyloxy-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 C35H32O9S
InChI InChI=1S/C35H32O9S/c1-38-28-17-23(18-29(39-2)32(28)40-3)33(45-24-12-8-5-9-13-24)30-25(19-41-35(30)37)31(44-34(36)21-10-6-4-7-11-21)22-14-15-26-27(16-22)43-20-42-26/h4-18,25,30-31,33H,19-20H2,1-3H3
InChIKey WUNQBTPBWYKIRJ-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