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3-[(4-Methylphenyl)sulfanyl]propanoic Acid Ethyl Ester
SpectraBase Compound ID 9pfFxTMRZCu
InChI InChI=1S/C12H16O2S/c1-3-14-12(13)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey JHQSBVMORQJICP-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RlJWpvKyiP
Name 3-[(4-Methylphenyl)sulfanyl]propanoic Acid Ethyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-3-14-12(13)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey JHQSBVMORQJICP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2010962
Molecular Weight 224.318 g/mol
SMILES c1cc(SCCC(OCC)=O)ccc1C
SPLASH splash10-00di-1290000000-df2e9a2acc5a3cfa67e1
Source of Spectrum A1-13-3170/SMS4-4ab
Synonyms Ethyl 3-(p-tolylthio)propanoate 3-[(4-methylphenyl)thio]propanoic acid ethyl ester Ethyl 3-(p-tolylsulfanyl)propanoate Ethyl 3-(4-methylphenyl)sulfanylpropanoate
Wiley ID 1753325