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4-METHOXY-BENZENECARBOTHIOIC-ACID-METHYLESTER
SpectraBase Compound ID Ed1k83SaCLt
InChI InChI=1S/C9H10O2S/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey CCGYNOGSEJIPON-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqORkhYEOmo
Name S-Methyl 4-methoxybenzothioate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey CCGYNOGSEJIPON-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 182.237 g/mol
SMILES CSC(c1ccc(cc1)OC)=O
SPLASH splash10-000i-4900000000-524a4c53522439191b47
Source of Spectrum JOC-86-8801-3a
Wiley ID 1867833