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S-(3-Methoxyphenyl)thioacetate
SpectraBase Compound ID 7pJsQKqLyu0
InChI InChI=1S/C9H10O2S/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-6H,1-2H3
InChIKey BSUMOLODBDMGEB-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 HsG0kCOfHLm
Name S-(3-Methoxyphenyl)thioacetate
Alternate Name(s) S-(3-Methoxyphenyl) ethanethioate
CAS Registry Number 69746-44-7
Comments Less than 3 mono-isotopic peaks
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Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-6H,1-2H3
InChIKey BSUMOLODBDMGEB-UHFFFAOYSA-N
Molecular Weight 182.237 g/mol
SMILES C(Sc1cc(OC)ccc1)(=O)C
SPLASH splash10-0006-0900000000-29371a4a57459a4c9966
Source of Spectrum F-68-186-14
Wiley ID 1708682