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2-(2-Bromo-4,5-dimethoxybenzyl)-2-(3-hydroxy-2-methoxyphenyl)-1,3-dithiane
SpectraBase Compound ID 8qrlZKfb6WE
InChI InChI=1S/C20H23BrO4S2/c1-23-16-7-4-6-14(19(16)22)20(26-8-5-9-27-20)12-13-10-17(24-2)18(25-3)11-15(13)21/h4,6-7,10-11,22H,5,8-9,12H2,1-3H3
InChIKey SASCKTIQIHUHTK-UHFFFAOYSA-N
Mol Weight 471.42 g/mol
Molecular Formula C20H23BrO4S2
Exact Mass 470.022115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpU8byANwqw
Name 2-(2-Bromo-4,5-dimethoxybenzyl)-2-(3-hydroxy-2-methoxyphenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23BrO4S2
InChI InChI=1S/C20H23BrO4S2/c1-23-16-7-4-6-14(19(16)22)20(26-8-5-9-27-20)12-13-10-17(24-2)18(25-3)11-15(13)21/h4,6-7,10-11,22H,5,8-9,12H2,1-3H3
InChIKey SASCKTIQIHUHTK-UHFFFAOYSA-N
Molecular Weight 471.424 g/mol
SMILES Oc1c(C2(Cc3c(cc(c(c3)OC)OC)Br)SCCCS2)cccc1OC
SPLASH splash10-0006-0092000000-1940799c335805b2a5e8
Source of Spectrum F-51-8591-10
Synonyms 2-(2-Bromo-4,5-dimethoxybenzyl)-2-(2-hydroxy-3-methoxyphenyl)-1,3-dithiane 2-[2-(2-bromo-4,5-dimethoxybenzyl)-1,3-dithian-2-yl]-6-methoxyphenol 3-[2-(2-bromo-4,5-dimethoxybenzyl)-1,3-dithian-2-yl]-2-methoxyphenol
Wiley ID 792985