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Acetic acid, 2-[(3-methoxyphenyl)thio]-
SpectraBase Compound ID Jom1nD908YI
InChI InChI=1S/C9H10O3S/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey LMSQEBMMWJHLQK-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C9H10O3S
Exact Mass 198.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ubpMHjvTGR
Name Acetic acid, 2-[(3-methoxyphenyl)thio]-
Alternate Name(s) 2-((3-methoxyphenyl)thio)acetic acid [(3-methoxyphenyl)sulfanyl]acetic acid 2-(3-Methoxyphenyl)sulfanylacetic acid 2-(3-Methoxyphenyl)sulfanylethanoic acid
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Formula C9H10O3S
InChI InChI=1S/C9H10O3S/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey LMSQEBMMWJHLQK-UHFFFAOYSA-N
Molecular Weight 198.236 g/mol
SMILES OC(CSc1cccc(OC)c1)=O
SPLASH splash10-0f6t-8900000000-3b15bb2e58967b538b41
Source of Spectrum JX-2015-5-528
Wiley ID 1727327