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Ethyl 2-[Methoxycarbonyl(phenylmethyl)thio]-4-pentenoate
SpectraBase Compound ID L4xfLw77xck
InChI InChI=1S/C16H20O4S/c1-4-9-13(15(17)20-5-2)21-14(16(18)19-3)12-10-7-6-8-11-12/h4,6-8,10-11,13-14H,1,5,9H2,2-3H3
InChIKey QEUKNFABLJHPAG-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpLs5MB79sZ
Name Ethyl 2-[Methoxycarbonyl(phenylmethyl)thio]-4-pentenoate
Alternate Name(s) Ethyl 2-((2-methoxy-2-oxo-1-phenylethyl)thio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-4-9-13(15(17)20-5-2)21-14(16(18)19-3)12-10-7-6-8-11-12/h4,6-8,10-11,13-14H,1,5,9H2,2-3H3
InChIKey QEUKNFABLJHPAG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 308.392 g/mol
SMILES C(SC(c1ccccc1)C(=O)OC)(CC=C)C(OCC)=O
SPLASH splash10-0092-1930000000-bdaceeb8aedbb1d6c9a2
Source of Spectrum A1-10-693/SMS7-8a
Wiley ID 1759164