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4-MTA-M (methylthiobenzoic acid) ME
SpectraBase Compound ID 8w68LPfJc9t
InChI InChI=1S/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3
InChIKey UQGNSVPCBCFZCE-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 JbOUI7ZbR2n
Name Methyl 4-(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)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3
InChIKey UQGNSVPCBCFZCE-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100063
Molecular Weight 182.237 g/mol
SMILES c1cc(ccc1C(=O)OC)SC
SPLASH splash10-0ue9-0900000000-487033a4c87a936fc875
Source of Spectrum AJO-10-SM23-4e
Wiley ID 1866310