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2-(4-BENZYLOXYPHENYL)-2-(3,4,5-TRIMETHOXYBENZYL)-1,3-DITHIANE
SpectraBase Compound ID 8lMzpepnuXS
InChI InChI=1S/C27H30O4S2/c1-28-24-16-21(17-25(29-2)26(24)30-3)18-27(32-14-7-15-33-27)22-10-12-23(13-11-22)31-19-20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15,18-19H2,1-3H3
InChIKey WACDKIBRFNRZMA-UHFFFAOYSA-N
Mol Weight 482.65 g/mol
Molecular Formula C27H30O4S2
Exact Mass 482.158552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPXP1NIoYy1
Name 2-(4-BENZYLOXYPHENYL)-2-(3,4,5-TRIMETHOXYBENZYL)-1,3-DITHIANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O4S2
InChI InChI=1S/C27H30O4S2/c1-28-24-16-21(17-25(29-2)26(24)30-3)18-27(32-14-7-15-33-27)22-10-12-23(13-11-22)31-19-20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15,18-19H2,1-3H3
InChIKey WACDKIBRFNRZMA-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 482.653 g/mol
Solvent CDCl3
Source File Reference UWRK62