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Methyl 2-Phenyl-2-[(ethoxycarbonylmethyl)thio]-4-pentenoate
SpectraBase Compound ID Lmg6vYhpSQ1
InChI InChI=1S/C16H20O4S/c1-4-11-16(15(18)19-3,13-9-7-6-8-10-13)21-12-14(17)20-5-2/h4,6-10H,1,5,11-12H2,2-3H3
InChIKey MUKOKNLGTGVPDO-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 88gvWiuiTGt
Name Methyl 2-Phenyl-2-[(ethoxycarbonylmethyl)thio]-4-pentenoate
Alternate Name(s) Methyl 2-((2-ethoxy-2-oxoethyl)thio)-2-phenylpent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-4-11-16(15(18)19-3,13-9-7-6-8-10-13)21-12-14(17)20-5-2/h4,6-10H,1,5,11-12H2,2-3H3
InChIKey MUKOKNLGTGVPDO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 308.392 g/mol
SMILES C(C(=O)OC)(c1ccccc1)(SCC(=O)OCC)CC=C
SPLASH splash10-00or-0950000000-85b46189cc99cf6452a9
Source of Spectrum A1-10-693/SMS7-7a
Wiley ID 1759162