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2-(4-BENZYLOXYBENZYL)-2-(4-BENZYLOXY-3-METHOXYPHENYL)-1,3-DITHIANE
SpectraBase Compound ID I2yszQEUJJl
InChI InChI=1S/C32H32O3S2/c1-33-31-21-28(15-18-30(31)35-24-27-11-6-3-7-12-27)32(36-19-8-20-37-32)22-25-13-16-29(17-14-25)34-23-26-9-4-2-5-10-26/h2-7,9-18,21H,8,19-20,22-24H2,1H3
InChIKey NZYNXRFHVFBRQJ-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C32H32O3S2
Exact Mass 528.179287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWD1upQ7iNT
Name 2-(4-BENZYLOXYBENZYL)-2-(4-BENZYLOXY-3-METHOXYPHENYL)-1,3-DITHIANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32O3S2
InChI InChI=1S/C32H32O3S2/c1-33-31-21-28(15-18-30(31)35-24-27-11-6-3-7-12-27)32(36-19-8-20-37-32)22-25-13-16-29(17-14-25)34-23-26-9-4-2-5-10-26/h2-7,9-18,21H,8,19-20,22-24H2,1H3
InChIKey NZYNXRFHVFBRQJ-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 528.724 g/mol
Solvent CDCl3
Source File Reference UWRK64