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Ethyl 3-[(methylthio)-carbonyl]-3-phenylpropanoate
SpectraBase Compound ID IZWuDTYk6xE
InChI InChI=1S/C13H16O3S/c1-3-16-12(14)9-11(13(15)17-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey RXAJGWZDUGGBGS-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cxa3OVC0l1v
Name Ethyl 3-[(methylthio)-carbonyl]-3-phenylpropanoate
Alternate Name(s) Ethyl 4-(methylsulfanyl)-4-oxo-3-phenylbutanoate
CAS Registry Number 99765-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-3-16-12(14)9-11(13(15)17-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey RXAJGWZDUGGBGS-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C(C(CC(=O)OCC)c1ccccc1)(=O)SC
SPLASH splash10-0a4r-3930000000-b30dcce98c3602f9d5b8
Source of Spectrum J-51-512-25
Wiley ID 1255316