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S-Methyl 3,5-dimethoxybenzothioate
SpectraBase Compound ID KyaJxuNDnTP
InChI InChI=1S/C10H12O3S/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChIKey JBRYYPMHHUMFJQ-UHFFFAOYSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKY0sjZb5Ea
Name S-Methyl 3,5-dimethoxybenzothioate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChIKey JBRYYPMHHUMFJQ-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 212.263 g/mol
SMILES CSC(c1cc(cc(c1)OC)OC)=O
SPLASH splash10-01b9-1910000000-aa4d14951b3aa1e0dd37
Source of Spectrum JOC-86-8801-3r
Wiley ID 1867850