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Methyl (2RS,3RS)-2-ethyl-3-hydroxy-2-(phenylthio)butanoate
SpectraBase Compound ID AyFHJNwcwEx
InChI InChI=1S/C13H18O3S/c1-4-13(10(2)14,12(15)16-3)17-11-8-6-5-7-9-11/h5-10,14H,4H2,1-3H3
InChIKey NXMYBRSCUKCMQU-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eOpA1Rotk
Name Methyl (2RS,3RS)-2-ethyl-3-hydroxy-2-(phenylthio)butanoate
Alternate Name(s) Methyl 2-ethyl-3-hydroxy-2-(phenylsulfanyl)butanoate
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-4-13(10(2)14,12(15)16-3)17-11-8-6-5-7-9-11/h5-10,14H,4H2,1-3H3
InChIKey NXMYBRSCUKCMQU-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES OC(C(C(=O)OC)(Sc1ccccc1)CC)C
SPLASH splash10-0aba-3920000000-b7e52d918950147c4065
Source of Spectrum F-48-5354-10
Wiley ID 1257486