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3-(A-Hydroxy-3'',4''-dimethoxy-benzyl)-2-(3,4-methylenedioxy-A-phenylthio-benzyl).gamma.-butyrolactone
SpectraBase Compound ID 4dWp7h5hlYG
InChI InChI=1S/C27H26O7S/c1-30-20-10-8-16(12-22(20)31-2)25(28)19-14-32-27(29)24(19)26(35-18-6-4-3-5-7-18)17-9-11-21-23(13-17)34-15-33-21/h3-13,19,24-26,28H,14-15H2,1-2H3
InChIKey NXRPDMQSPIBRJH-UHFFFAOYSA-N
Mol Weight 494.56 g/mol
Molecular Formula C27H26O7S
Exact Mass 494.139924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wAuwn99S8m
Name 3-(A-Hydroxy-3'',4''-dimethoxy-benzyl)-2-(3,4-methylenedioxy-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 C27H26O7S
InChI InChI=1S/C27H26O7S/c1-30-20-10-8-16(12-22(20)31-2)25(28)19-14-32-27(29)24(19)26(35-18-6-4-3-5-7-18)17-9-11-21-23(13-17)34-15-33-21/h3-13,19,24-26,28H,14-15H2,1-2H3
InChIKey NXRPDMQSPIBRJH-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