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S-Methyl 3,4,5-trimethoxybenzothioate
SpectraBase Compound ID HS6Ex4vPeD6
InChI InChI=1S/C11H14O4S/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKey YULAPSOHDLRTID-UHFFFAOYSA-N
Mol Weight 242.29 g/mol
Molecular Formula C11H14O4S
Exact Mass 242.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9OdHqi4Dqg
Name S-Methyl 3,4,5-trimethoxybenzothioate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O4S
InChI InChI=1S/C11H14O4S/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKey YULAPSOHDLRTID-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 242.289 g/mol
SMILES CSC(c1cc(c(c(c1)OC)OC)OC)=O
SPLASH splash10-0002-0910000000-cce2cbaa41a7bf6b33a9
Source of Spectrum JOC-86-8801-3f
Wiley ID 1867838