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3-[(4-Methylphenyl)sulfinyl]propanoic Acid Ethyl Ester
SpectraBase Compound ID Hi74SRsqhdh
InChI InChI=1S/C12H16O3S/c1-3-15-12(13)8-9-16(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey QCYFWWRRGMZBQQ-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkPmQiDyx7T
Name 3-[(4-Methylphenyl)sulfinyl]propanoic Acid Ethyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-3-15-12(13)8-9-16(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey QCYFWWRRGMZBQQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2010962
Molecular Weight 240.317 g/mol
SMILES c1cc([S+](CCC(OCC)=O)[O-])ccc1C
SPLASH splash10-000f-4930000000-124eac86c48fa7778675
Source of Spectrum A1-13-3170/SMS12-1ab
Synonyms Ethyl 3-(p-tolylsulfinyl)propanoate 3-(4-Methylphenyl)sulfinylpropanoic acid ethyl ester Ethyl 3-(4-methylphenyl)sulfinylpropanoate
Wiley ID 1753322