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S-Methyl 4-(methylthio)benzothioate
SpectraBase Compound ID AMs9Tr0Qk0z
InChI InChI=1S/C9H10OS2/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey RSEDEENMDUQUCB-UHFFFAOYSA-N
Mol Weight 198.3 g/mol
Molecular Formula C9H10OS2
Exact Mass 198.017307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36C72uufS4h
Name S-Methyl 4-(methylthio)benzothioate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10OS2
InChI InChI=1S/C9H10OS2/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey RSEDEENMDUQUCB-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 198.298 g/mol
SMILES CSC(c1ccc(cc1)SC)=O
SPLASH splash10-0udi-1900000000-5a560b0d0afc4a09ab53
Source of Spectrum JOC-86-8801-3e
Wiley ID 1867837