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Benzoic acid, 2-(methylthio)-, methyl ester
SpectraBase Compound ID 8xfpeofpmN
InChI InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3
InChIKey CPQDZXPLQXZJGF-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 3mrP94qricd
Name Methyl 2-(methylthio)benzoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3
InChIKey CPQDZXPLQXZJGF-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100063
Molecular Weight 182.237 g/mol
SMILES c1cc(c(cc1)C(OC)=O)SC
SPLASH splash10-0ul0-0900000000-83af391b42d4ec4f40c3
Source of Spectrum AJO-10-SM22-4d
Wiley ID 1866309