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Ethyl 2-(phenylsulfinyl)butanoate
SpectraBase Compound ID JVKJXDUfITH
InChI InChI=1S/C12H16O3S/c1-3-11(12(13)15-4-2)16(14)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey AOEHXFWUHZYRHY-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 Jd6DzyXn5xT
Name Ethyl 2-(phenylsulfinyl)butanoate
Alternate Name(s) 2-(benzenesulfinyl)butanoic acid ethyl ester Ethyl 2-(benzenesulfinyl)butanoate
CAS Registry Number 109328-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-3-11(12(13)15-4-2)16(14)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey AOEHXFWUHZYRHY-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES C(S(=O)c1ccccc1)(C(=O)OCC)CC
SPLASH splash10-00or-0910000000-98d50e0a58590ea5c46e
Source of Spectrum KC-1986-1943-6
Wiley ID 1242634