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2-(4-BENZYLOXY-3-METHOXYPHENYL)-2-(3,4,5-TRIMETHOXYBENZYL)-1,3-DITHIANE
SpectraBase Compound ID B3Hrc3wVGcQ
InChI InChI=1S/C28H32O5S2/c1-29-24-17-22(11-12-23(24)33-19-20-9-6-5-7-10-20)28(34-13-8-14-35-28)18-21-15-25(30-2)27(32-4)26(16-21)31-3/h5-7,9-12,15-17H,8,13-14,18-19H2,1-4H3
InChIKey RCRUSMARVNNKPN-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C28H32O5S2
Exact Mass 512.169116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ttr84nAuAV
Name 2-(4-BENZYLOXY-3-METHOXYPHENYL)-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 C28H32O5S2
InChI InChI=1S/C28H32O5S2/c1-29-24-17-22(11-12-23(24)33-19-20-9-6-5-7-10-20)28(34-13-8-14-35-28)18-21-15-25(30-2)27(32-4)26(16-21)31-3/h5-7,9-12,15-17H,8,13-14,18-19H2,1-4H3
InChIKey RCRUSMARVNNKPN-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 512.679 g/mol
Solvent CDCl3
Source File Reference UWRK63