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ethyl 4-hydroxy-3-(methylthio)benzoate
SpectraBase Compound ID 9xNW3jlCVKt
InChI InChI=1S/C10H12O3S/c1-3-13-10(12)7-4-5-8(11)9(6-7)14-2/h4-6,11H,3H2,1-2H3
InChIKey YGURQBADEZJMKY-UHFFFAOYSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TLTauFPEwq
Name ethyl 4-hydroxy-3-(methylthio)benzoate
Appearance Yellow oil
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Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-3-13-10(12)7-4-5-8(11)9(6-7)14-2/h4-6,11H,3H2,1-2H3
InChIKey YGURQBADEZJMKY-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900069
Molecular Weight 212.263 g/mol
Reported Formula C10H12O3S
SMILES Oc1c(cc(cc1)C(OCC)=O)SC
SPLASH splash10-02t9-0930000000-125a7b7493bd8558968c
Source of Spectrum ASC-361-SM33-2m
Thin-Layer Chromatography Rf = 0.55 (petroleum ether/ethylacetate, 5:1)
Wiley ID 1838002