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5-[2-(4-BENZYLOXYBENZYL)-1,3-DITHIAN-2-YL]-1,3-BENZODIOXOL
SpectraBase Compound ID IbRrBxRakzl
InChI InChI=1S/C25H24O3S2/c1-2-5-20(6-3-1)17-26-22-10-7-19(8-11-22)16-25(29-13-4-14-30-25)21-9-12-23-24(15-21)28-18-27-23/h1-3,5-12,15H,4,13-14,16-18H2
InChIKey DAENQEVYRGHCRV-UHFFFAOYSA-N
Mol Weight 436.58 g/mol
Molecular Formula C25H24O3S2
Exact Mass 436.116687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LFle3Y4FNz
Name 5-[2-(4-BENZYLOXYBENZYL)-1,3-DITHIAN-2-YL]-1,3-BENZODIOXOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24O3S2
InChI InChI=1S/C25H24O3S2/c1-2-5-20(6-3-1)17-26-22-10-7-19(8-11-22)16-25(29-13-4-14-30-25)21-9-12-23-24(15-21)28-18-27-23/h1-3,5-12,15H,4,13-14,16-18H2
InChIKey DAENQEVYRGHCRV-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 436.584 g/mol
Solvent CDCl3
Source File Reference UWRK61