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2-(3,4,5-TRIMETHOXYBENZYL)-2-(3,4-DIMETHOXYPHENYL)-1,3-DITHIANE
SpectraBase Compound ID HbYKcwWt9xf
InChI InChI=1S/C22H28O5S2/c1-23-17-8-7-16(13-18(17)24-2)22(28-9-6-10-29-22)14-15-11-19(25-3)21(27-5)20(12-15)26-4/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKey HKXSAUMGVDJPEE-UHFFFAOYSA-N
Mol Weight 436.58 g/mol
Molecular Formula C22H28O5S2
Exact Mass 436.137816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INJMulHfSp0
Name 2-(3,4,5-TRIMETHOXYBENZYL)-2-(3,4-DIMETHOXYPHENYL)-1,3-DITHIANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O5S2
InChI InChI=1S/C22H28O5S2/c1-23-17-8-7-16(13-18(17)24-2)22(28-9-6-10-29-22)14-15-11-19(25-3)21(27-5)20(12-15)26-4/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKey HKXSAUMGVDJPEE-UHFFFAOYSA-N
Literature Reference Author M.MEDARDE,R.P.L.DECLAIRAC,J.L.LOPEZ,A.SANFELICIANO
Literature Reference Citation J.NAT.PROD.,57,1136(1994)
Literature Reference DOI 10.1021/np50110a002
Molecular Weight 436.581 g/mol
Solvent CDCl3
Source File Reference UWRK59