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2-Methylsulfanyl-3-oxidanyl-3-phenyl-propanoic acid
SpectraBase Compound ID I1g98TQIQ2Z
InChI InChI=1S/C10H12O3S/c1-14-9(10(12)13)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)
InChIKey OGXLCCOBPDZJNN-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 DCdzIjovtTL
Name 2-Methylsulfanyl-3-oxidanyl-3-phenyl-propanoic acid
CAS Registry Number 70760-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-14-9(10(12)13)8(11)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)
InChIKey OGXLCCOBPDZJNN-UHFFFAOYSA-N
Molecular Weight 212.263 g/mol
SMILES OC(C(C(=O)O)SC)c1ccccc1
SPLASH splash10-0a4i-9400000000-647178eb96f48708b4cf
Synonyms 3-Hydroxy-2-(methylthio)-3-phenyl-propionic acid 3-Hydroxy-2-(methylthio)-3-phenylpropanoic acid 3-Hydroxy-2-methylsulfanyl-3-phenyl-propanoic acid
Wiley ID 1479891