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2,3-Dioxo-3-[2-(phenylmethylthio)phenyl]propanoic acid ethyl ester
SpectraBase Compound ID H3dpLEeJlQ1
InChI InChI=1S/C18H16O4S/c1-2-22-18(21)17(20)16(19)14-10-6-7-11-15(14)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKey JSDSCVYQOHIIDF-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrsiVYWrzVo
Name 2,3-Dioxo-3-[2-(phenylmethylthio)phenyl]propanoic acid ethyl ester
CAS Registry Number 120571-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-2-22-18(21)17(20)16(19)14-10-6-7-11-15(14)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKey JSDSCVYQOHIIDF-UHFFFAOYSA-N
Molecular Weight 328.382 g/mol
SMILES C(C(c1c(SCc2ccccc2)cccc1)=O)(C(=O)OCC)=O
SPLASH splash10-002f-9050000000-acfb1257f384f3adf69a
Source of Spectrum F-46-6540-13
Synonyms 3-[2-(benzylthio)phenyl]-2,3-diketo-propionic acid ethyl ester Ethyl 2,3-bis(oxidanylidene)-3-[2-(phenylmethylsulfanyl)phenyl]propanoate Ethyl 3-(2-benzylsulfanylphenyl)-2,3-dioxopropanoate
Wiley ID 1326190