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Methyl 3-hydroxy-2-(methylsulfanyl)-3-phenylpropanoate
SpectraBase Compound ID 8A0yThh4hqG
InChI InChI=1S/C11H14O3S/c1-14-11(13)10(15-2)9(12)8-6-4-3-5-7-8/h3-7,9-10,12H,1-2H3
InChIKey NKRXQGDQYYMKGF-UHFFFAOYSA-N
Mol Weight 226.29 g/mol
Molecular Formula C11H14O3S
Exact Mass 226.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Afvy6o0CdR4
Name Methyl 3-hydroxy-2-(methylsulfanyl)-3-phenylpropanoate
Alternate Name(s) 3-Hydroxy-2-(methylthio)-3-phenyl-propionic acid methyl ester 3-Hydroxy-2-(methylthio)-3-phenylpropanoic acid methyl ester Benzenepropanoic acid, .beta.-hydroxy-.alpha.-(methylthio)-, methyl ester Methyl 2-methylsulfanyl-3-oxidanyl-3-phenyl-propanoate Methyl 3-hydroxy-2-methylsulfanyl-3-phenylpropanoate
CAS Registry Number 41769-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3S
InChI InChI=1S/C11H14O3S/c1-14-11(13)10(15-2)9(12)8-6-4-3-5-7-8/h3-7,9-10,12H,1-2H3
InChIKey NKRXQGDQYYMKGF-UHFFFAOYSA-N
Molecular Weight 226.290 g/mol
SMILES OC(c1ccccc1)C(SC)C(=O)OC
SPLASH splash10-05i0-9600000000-1848c414c00df101b452
Wiley ID 1489940