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3-(3,6-Dioxo-cyclohexa-1,4-dienylsulfanyl)-propionic acid ethyl ester
SpectraBase Compound ID yc7eRtxczd
InChI InChI=1S/C11H12O4S/c1-2-15-11(14)5-6-16-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKey HGAKLLDICSACNW-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C11H12O4S
Exact Mass 240.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcJ6hyAclGh
Name 3-(3,6-Dioxo-cyclohexa-1,4-dienylsulfanyl)-propionic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4S
InChI InChI=1S/C11H12O4S/c1-2-15-11(14)5-6-16-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKey HGAKLLDICSACNW-UHFFFAOYSA-N
Molecular Weight 240.273 g/mol
SMILES C1(=CC(C=CC1=O)=O)SCCC(=O)OCC
SPLASH splash10-0pbc-9680000000-53f765c0e775ae3b4819
Source of Spectrum F-66-4982-15a
Wiley ID 1683244