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2-(acetylsulfanylmethyl)-3-phenyl-propanoic acid
SpectraBase Compound ID 8uQkSbMLdZR
InChI InChI=1S/C12H14O3S/c1-9(13)16-8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)
InChIKey BCAAXVOKLXDSPD-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hooy0WMdnaq
Name 2-(acetylsulfanylmethyl)-3-phenyl-propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-9(13)16-8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)
InChIKey BCAAXVOKLXDSPD-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES OC(C(CSC(=O)C)Cc1ccccc1)=O
SPLASH splash10-0006-9800000000-f6cec9c1bb8efcbf560f
Source of Spectrum B-51-513-2
Synonyms 2-(ethanoylsulfanylmethyl)-3-phenyl-propanoic acid 2-[(acetylthio)methyl]-3-phenyl-propionic acid 2-[(acetylthio)methyl]-3-phenylpropanoic acid 3-(acetylsulfanyl)-2-benzylpropanoic acid
Wiley ID 746083