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5-(benzylsulfonyl)-1,2,3-trimethoxybenzene
SpectraBase Compound ID 5eMe5zgWW5h
InChI InChI=1S/C16H18O5S/c1-19-14-9-13(10-15(20-2)16(14)21-3)22(17,18)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKey YGDZKUWYWRNPBZ-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C16H18O5S
Exact Mass 322.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNyQkZnJ2cE
Name 5-(benzylsulfonyl)-1,2,3-trimethoxybenzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5S
InChI InChI=1S/C16H18O5S/c1-19-14-9-13(10-15(20-2)16(14)21-3)22(17,18)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKey YGDZKUWYWRNPBZ-UHFFFAOYSA-N
Instrument Name Agilent Technologies GC/MS-5973N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000425
Molecular Weight 322.375 g/mol
SMILES C(S(c1cc(c(c(c1)OC)OC)OC)(=O)=O)c1ccccc1
SPLASH splash10-0006-9023000000-17b4845ecff232f3deec
Source of Spectrum U1-2020-SM5-4k
Thin-Layer Chromatography Rf = 0.27 (hexane/ethyl acetate, 7:3)
Wiley ID 1860651