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3-Hydroxy-4-(phenylthio)butanoic acid methyl ester

View entire compound with spectra: 2 MS (GC)

3-Hydroxy-4-(phenylthio)butanoic acid methyl ester
SpectraBase Compound ID 3SZaDWP5IM8
InChI InChI=1S/C11H14O3S/c1-14-11(13)7-9(12)8-15-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKey YDLBMPUGGXCLRU-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 C3o6YPt3dxU
Name 3-Hydroxy-4-(phenylthio)butanoic acid methyl ester
CAS Registry Number 114607-80-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3S
InChI InChI=1S/C11H14O3S/c1-14-11(13)7-9(12)8-15-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKey YDLBMPUGGXCLRU-UHFFFAOYSA-N
Molecular Weight 226.290 g/mol
SMILES OC(CSc1ccccc1)CC(=O)OC
SPLASH splash10-00di-9610000000-b559e3141b15a7418466
Synonyms 3-Hydroxy-4-(phenylthio)butyric acid methyl ester Butanoic acid, 3-hydroxy-4-(phenylthio)-, methyl ester Methyl 3-hydroxy-4-phenylsulfanyl-butanoate Methyl 3-oxidanyl-4-phenylsulfanyl-butanoate
Wiley ID 1484864